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Analogs

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Popular Name: 4-(3-methylpyrazol-1-yl)pyridin-3-amine 4-(3-methylpyrazol-1-yl)pyridin-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.65 2.82 -6.8 2 4 0 57 174.207 1 ↓

Analogs

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Popular Name: 4-(3-methylpyrazol-1-yl)pyridine-2-carboxylic 4-(3-methylpyrazol-1-yl)pyridine…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.05 5.08 -59.81 0 5 -1 71 202.193 2 ↓

Analogs

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Popular Name: 4-(3-isopropylpyrazol-1-yl)pyridin-3-amine 4-(3-isopropylpyrazol-1-yl)pyrid…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.70 4.08 -6.39 2 4 0 57 202.261 2 ↓

Analogs

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Popular Name: [4-(3-methylpyrazol-1-yl)-2-pyridyl]methanol [4-(3-methylpyrazol-1-yl)-2-pyri…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.81 1.96 -11.46 1 4 0 51 189.218 2 ↓

Analogs

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Popular Name: [4-(3-isopropylpyrazol-1-yl)-2-pyridyl]methanol [4-(3-isopropylpyrazol-1-yl)-2-p…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.87 3.23 -11.09 1 4 0 51 217.272 3 ↓

Analogs

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Popular Name: 2-(chloromethyl)-4-(3-methylpyrazol-1-yl)pyridine 2-(chloromethyl)-4-(3-methylpyra…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.05 5.71 -8.94 0 3 0 31 207.664 2 ↓

Analogs

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Popular Name: 2-(chloromethyl)-4-(3-isopropylpyrazol-1-yl)pyridine 2-(chloromethyl)-4-(3-isopropylp…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.11 6.97 -8.55 0 3 0 31 235.718 3 ↓

Analogs

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Popular Name: [4-(3-methylpyrazol-1-yl)-2-pyridyl]methanamine [4-(3-methylpyrazol-1-yl)-2-pyri…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.66 2.49 -43.98 3 4 1 58 189.242 2 ↓
Mid Mid (pH 6-8) 0.66 2.09 -8.91 2 4 0 57 188.234 2 ↓

Analogs

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Popular Name: N-methyl-1-[4-(3-methylpyrazol-1-yl)-2-pyridyl]methanamine N-methyl-1-[4-(3-methylpyrazol-1…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.03 4.36 -38.7 2 4 1 47 203.269 3 ↓
Hi High (pH 8-9.5) 1.03 2.91 -8.47 1 4 0 43 202.261 3 ↓

Analogs

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Popular Name: N-[[4-(3-methylpyrazol-1-yl)-2-pyridyl]methyl]ethanamine N-[[4-(3-methylpyrazol-1-yl)-2-p…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.41 5.22 -37.67 2 4 1 47 217.296 4 ↓
Hi High (pH 8-9.5) 1.41 3.84 -8.33 1 4 0 43 216.288 4 ↓

Analogs

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Popular Name: N-[[4-(3-methylpyrazol-1-yl)-2-pyridyl]methyl]propan-1-amine N-[[4-(3-methylpyrazol-1-yl)-2-p…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.91 5.98 -38.47 2 4 1 47 231.323 5 ↓
Hi High (pH 8-9.5) 1.91 4.61 -8.21 1 4 0 43 230.315 5 ↓

Analogs

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Popular Name: N-[[4-(3-methylpyrazol-1-yl)-2-pyridyl]methyl]propan-2-amine N-[[4-(3-methylpyrazol-1-yl)-2-p…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.70 5.74 -36.23 2 4 1 47 231.323 4 ↓
Hi High (pH 8-9.5) 1.70 4.53 -8.17 1 4 0 43 230.315 4 ↓

Analogs

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Popular Name: 2-methyl-N-[[4-(3-methylpyrazol-1-yl)-2-pyridyl]methyl]propan-2-amine 2-methyl-N-[[4-(3-methylpyrazol-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.22 6.16 -34.37 2 4 1 47 245.35 4 ↓
Hi High (pH 8-9.5) 2.22 4.94 -8 1 4 0 43 244.342 4 ↓

Analogs

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Popular Name: 2-methyl-N-[[4-(3-methylpyrazol-1-yl)-2-pyridyl]methyl]propan-1-amine 2-methyl-N-[[4-(3-methylpyrazol-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.15 6.67 -38.32 2 4 1 47 245.35 5 ↓
Hi High (pH 8-9.5) 2.15 5.44 -7.94 1 4 0 43 244.342 5 ↓

Analogs

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Popular Name: [4-(3-isopropylpyrazol-1-yl)-2-pyridyl]methanamine [4-(3-isopropylpyrazol-1-yl)-2-p…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.72 3.76 -43.46 3 4 1 58 217.296 3 ↓
Mid Mid (pH 6-8) 1.72 3.35 -8.53 2 4 0 57 216.288 3 ↓

Analogs

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Popular Name: 1-[4-(3-isopropylpyrazol-1-yl)-2-pyridyl]-N-methyl-methanamine 1-[4-(3-isopropylpyrazol-1-yl)-2…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.09 5.63 -38.27 2 4 1 47 231.323 4 ↓
Hi High (pH 8-9.5) 2.09 4.18 -8.11 1 4 0 43 230.315 4 ↓

Analogs

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Popular Name: N-[[4-(3-isopropylpyrazol-1-yl)-2-pyridyl]methyl]ethanamine N-[[4-(3-isopropylpyrazol-1-yl)-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.46 6.49 -37.26 2 4 1 47 245.35 5 ↓
Hi High (pH 8-9.5) 2.46 5.11 -8.07 1 4 0 43 244.342 5 ↓

Analogs

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Popular Name: N-[[4-(3-isopropylpyrazol-1-yl)-2-pyridyl]methyl]propan-1-amine N-[[4-(3-isopropylpyrazol-1-yl)-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.97 7.24 -37.95 2 4 1 47 259.377 6 ↓
Hi High (pH 8-9.5) 2.97 5.87 -7.98 1 4 0 43 258.369 6 ↓

Analogs

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Popular Name: N-[[4-(3-isopropylpyrazol-1-yl)-2-pyridyl]methyl]propan-2-amine N-[[4-(3-isopropylpyrazol-1-yl)-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.76 7.01 -35.74 2 4 1 47 259.377 5 ↓
Hi High (pH 8-9.5) 2.76 5.79 -7.76 1 4 0 43 258.369 5 ↓

Analogs

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Popular Name: N-[[4-(3-isopropylpyrazol-1-yl)-2-pyridyl]methyl]-2-methyl-propan-2-amine N-[[4-(3-isopropylpyrazol-1-yl)-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.27 7.42 -33.96 2 4 1 47 273.404 5 ↓
Hi High (pH 8-9.5) 3.27 6.21 -7.7 1 4 0 43 272.396 5 ↓

Analogs

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Popular Name: N-[[4-(3-isopropylpyrazol-1-yl)-2-pyridyl]methyl]-2-methyl-propan-1-amine N-[[4-(3-isopropylpyrazol-1-yl)-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.21 7.94 -37.86 2 4 1 47 273.404 6 ↓
Hi High (pH 8-9.5) 3.21 6.71 -7.66 1 4 0 43 272.396 6 ↓

Analogs

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Popular Name: 3-[1-(4-pyridyl)pyrazol-4-yl]propan-1-ol 3-[1-(4-pyridyl)pyrazol-4-yl]pro…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.79 2.82 -9.65 1 4 0 51 203.245 4 ↓

Analogs

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Popular Name: 4-[4-(3-chloropropyl)pyrazol-1-yl]pyridine 4-[4-(3-chloropropyl)pyrazol-1-y…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.03 6.78 -8.84 0 3 0 31 221.691 4 ↓

Analogs

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Popular Name: 4-[4-(3-bromopropyl)pyrazol-1-yl]pyridine 4-[4-(3-bromopropyl)pyrazol-1-yl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.16 6.89 -8.67 0 3 0 31 266.142 4 ↓

Analogs

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Popular Name: 3-[1-(4-pyridyl)pyrazol-4-yl]propan-1-amine 3-[1-(4-pyridyl)pyrazol-4-yl]pro…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.22 3.53 -50.57 3 4 1 58 203.269 4 ↓

Analogs

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Popular Name: N-methyl-3-[1-(4-pyridyl)pyrazol-4-yl]propan-1-amine N-methyl-3-[1-(4-pyridyl)pyrazol…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.21 5.41 -45.91 2 4 1 47 217.296 5 ↓

Analogs

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Popular Name: N-ethyl-3-[1-(4-pyridyl)pyrazol-4-yl]propan-1-amine N-ethyl-3-[1-(4-pyridyl)pyrazol-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.23 6.26 -45.38 2 4 1 47 231.323 6 ↓

Analogs

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Popular Name: N-propyl-3-[1-(4-pyridyl)pyrazol-4-yl]propan-1-amine N-propyl-3-[1-(4-pyridyl)pyrazol…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.73 7.01 -46.41 2 4 1 47 245.35 7 ↓

Analogs

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Popular Name: N-isopropyl-3-[1-(4-pyridyl)pyrazol-4-yl]propan-1-amine N-isopropyl-3-[1-(4-pyridyl)pyra…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.88 6.79 -44.35 2 4 1 47 245.35 6 ↓

Analogs

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Popular Name: 2-methyl-N-[3-[1-(4-pyridyl)pyrazol-4-yl]propyl]propan-2-amine 2-methyl-N-[3-[1-(4-pyridyl)pyra…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.39 7.22 -43.23 2 4 1 47 259.377 6 ↓

Analogs

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Popular Name: 2-methyl-N-[3-[1-(4-pyridyl)pyrazol-4-yl]propyl]propan-1-amine 2-methyl-N-[3-[1-(4-pyridyl)pyra…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.98 7.7 -46.57 2 4 1 47 259.377 7 ↓

Analogs

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Popular Name: N-(2-methoxyethyl)-3-[1-(4-pyridyl)pyrazol-4-yl]propan-1-amine N-(2-methoxyethyl)-3-[1-(4-pyrid…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.84 5.4 -45.88 2 5 1 57 261.349 8 ↓

Analogs

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Popular Name: methyl methyl

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.81 6.39 -8.26 0 5 0 57 259.309 4 ↓

Analogs

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Popular Name: methyl methyl

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.42 6.49 -8.46 0 5 0 57 293.754 4 ↓

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Popular Name: methyl methyl

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.55 6.57 -8.41 0 5 0 57 338.205 4 ↓

Analogs

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Popular Name: methyl methyl

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.82 6.92 -8.13 0 5 0 57 385.205 4 ↓

Analogs

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Popular Name: 5-tert-butyl-4-chloro-1-(4-pyridyl)pyrazole-3-carboxylic 5-tert-butyl-4-chloro-1-(4-pyrid…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.16 6.44 -53.83 0 5 -1 71 278.719 3 ↓

Analogs

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Popular Name: 4-bromo-5-tert-butyl-1-(4-pyridyl)pyrazole-3-carboxylic 4-bromo-5-tert-butyl-1-(4-pyridy…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.29 6.52 -53.42 0 5 -1 71 323.17 3 ↓

Analogs

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Popular Name: 5-tert-butyl-4-iodo-1-(4-pyridyl)pyrazole-3-carboxylic 5-tert-butyl-4-iodo-1-(4-pyridyl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.56 6.87 -52.59 0 5 -1 71 370.17 3 ↓

Analogs

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Popular Name: 3-[(1S)-1-methylbut-3-enyl]-1-(4-pyridyl)pyrazole-4-carbaldehyde 3-[(1S)-1-methylbut-3-enyl]-1-(4…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.17 6.78 -9.09 0 4 0 48 241.294 5 ↓

Analogs

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Popular Name: 3-[(1R)-1-methylbut-3-enyl]-1-(4-pyridyl)pyrazole-4-carbaldehyde 3-[(1R)-1-methylbut-3-enyl]-1-(4…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.17 6.74 -8.76 0 4 0 48 241.294 5 ↓

Analogs

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Popular Name: 4-(3-amino-4-chloro-pyrazol-1-yl)pyridine-2-carboxamide 4-(3-amino-4-chloro-pyrazol-1-yl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.28 0.16 -13.89 4 6 0 100 237.65 2 ↓

Analogs

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Popular Name: 4-(3-amino-4-chloro-pyrazol-1-yl)pyridine-2-carbonitrile 4-(3-amino-4-chloro-pyrazol-1-yl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.22 3.61 -10.95 2 5 0 81 219.635 1 ↓

Analogs

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Popular Name: 4-chloro-1-(4-pyridyl)pyrazol-3-amine 4-chloro-1-(4-pyridyl)pyrazol-3-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.01 3.32 -7.21 2 4 0 57 194.625 1 ↓

Analogs

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Popular Name: 4-(3-amino-4-methyl-pyrazol-1-yl)pyridine-2-carboxamide 4-(3-amino-4-methyl-pyrazol-1-yl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.05 0.33 -15.56 4 6 0 100 217.232 2 ↓

Analogs

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Popular Name: 4-(3-amino-4-methyl-pyrazol-1-yl)pyridine-2-carbonitrile 4-(3-amino-4-methyl-pyrazol-1-yl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.99 3.79 -11.95 2 5 0 81 199.217 1 ↓

Analogs

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Popular Name: 4-(3,4,5-trimethylpyrazol-1-yl)pyridine 4-(3,4,5-trimethylpyrazol-1-yl)p…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.62 5.55 -8.08 0 3 0 31 187.246 1 ↓

Analogs

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Popular Name: 4-(4-ethyl-3,5-dimethyl-pyrazol-1-yl)pyridine 4-(4-ethyl-3,5-dimethyl-pyrazol-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.08 6.3 -7.76 0 3 0 31 201.273 2 ↓

Analogs

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Popular Name: 4-(3,5-dimethyl-4-nitro-pyrazol-1-yl)pyridine-2-carboxylic 4-(3,5-dimethyl-4-nitro-pyrazol-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.15 6.34 -52.99 0 8 -1 117 261.217 3 ↓

Parameters Provided:

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filter.purchasability = annotated
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Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 28541 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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