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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,5-dimethyl-1-(3-pyridylmethyl)pyrazole-4-carbaldehyde 3,5-dimethyl-1-(3-pyridylmethyl)…

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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) 0.91 5.16 -15.2 0 4 0 48 215.256 3 ↓

Analogs

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Popular Name: [3,5-dimethyl-1-(3-pyridylmethyl)pyrazol-4-yl]methanol [3,5-dimethyl-1-(3-pyridylmethyl…

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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) 0.45 2.61 -12.24 1 4 0 51 217.272 3 ↓

Analogs

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Popular Name: [3,5-dimethyl-1-(3-pyridylmethyl)pyrazol-4-yl]methanamine [3,5-dimethyl-1-(3-pyridylmethyl…

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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) 0.30 3.33 -50.9 3 4 1 58 217.296 3 ↓
Hi High (pH 8-9.5) 0.30 2.93 -10.32 2 4 0 57 216.288 3 ↓

Analogs

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Popular Name: 1-[3,5-dimethyl-1-(3-pyridylmethyl)pyrazol-4-yl]-N-methyl-methanamine 1-[3,5-dimethyl-1-(3-pyridylmeth…

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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) 0.68 5.2 -45.69 2 4 1 47 231.323 4 ↓
Hi High (pH 8-9.5) 0.68 3.75 -8.93 1 4 0 43 230.315 4 ↓

Analogs

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Popular Name: N-[[3,5-dimethyl-1-(3-pyridylmethyl)pyrazol-4-yl]methyl]ethanamine N-[[3,5-dimethyl-1-(3-pyridylmet…

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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 5.94 -41.62 2 4 1 47 245.35 5 ↓
Hi High (pH 8-9.5) 1.05 4.57 -7.35 1 4 0 43 244.342 5 ↓

Analogs

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Popular Name: N-[[3,5-dimethyl-1-(3-pyridylmethyl)pyrazol-4-yl]methyl]propan-1-amine N-[[3,5-dimethyl-1-(3-pyridylmet…

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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) 1.55 6.69 -42.39 2 4 1 47 259.377 6 ↓
Hi High (pH 8-9.5) 1.55 5.34 -7.19 1 4 0 43 258.369 6 ↓

Analogs

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Popular Name: N-[[3,5-dimethyl-1-(3-pyridylmethyl)pyrazol-4-yl]methyl]propan-2-amine N-[[3,5-dimethyl-1-(3-pyridylmet…

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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) 1.35 6.59 -43.16 2 4 1 47 259.377 5 ↓
Hi High (pH 8-9.5) 1.35 5.37 -8.51 1 4 0 43 258.369 5 ↓

Analogs

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Popular Name: 3-[[4-(chloromethyl)-3,5-dimethyl-pyrazol-1-yl]methyl]pyridine 3-[[4-(chloromethyl)-3,5-dimethy…

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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) 1.69 6.57 -10.29 0 3 0 31 235.718 3 ↓

Analogs

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Popular Name: 2-chloro-5-(1H-pyrazol-1-ylmethyl)pyridine 2-chloro-5-(1H-pyrazol-1-ylmethy…

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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) 1.77 4.78 -9.77 0 3 0 31 193.637 2 ↓

Analogs

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Popular Name: 2-[3,5-dimethyl-1-(3-pyridylmethyl)pyrazol-4-yl]ethanamine 2-[3,5-dimethyl-1-(3-pyridylmeth…

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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) 0.10 4.09 -53.12 3 4 1 58 231.323 4 ↓

Analogs

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Popular Name: 3-[[4-(2-aminoethyl)-3,5-dimethyl-pyrazol-1-yl]methyl]pyridine-2-carbonitrile 3-[[4-(2-aminoethyl)-3,5-dimethy…

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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) 0.26 4.23 -61.34 3 5 1 82 256.333 4 ↓

Analogs

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Popular Name: (2R)-1-[3,5-dimethyl-1-(3-pyridylmethyl)pyrazol-4-yl]propan-2-amine (2R)-1-[3,5-dimethyl-1-(3-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) 0.50 4.83 -44.22 3 4 1 58 245.35 4 ↓

Analogs

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Popular Name: (2S)-1-[3,5-dimethyl-1-(3-pyridylmethyl)pyrazol-4-yl]propan-2-amine (2S)-1-[3,5-dimethyl-1-(3-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) 0.50 4.82 -49.65 3 4 1 58 245.35 4 ↓

Analogs

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Popular Name: 3-[[4-[(2R)-2-aminopropyl]-3,5-dimethyl-pyrazol-1-yl]methyl]pyridine-2-carbonitrile 3-[[4-[(2R)-2-aminopropyl]-3,5-d…

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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 4.97 -51.35 3 5 1 82 270.36 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[4-[(2S)-2-aminopropyl]-3,5-dimethyl-pyrazol-1-yl]methyl]pyridine-2-carbonitrile 3-[[4-[(2S)-2-aminopropyl]-3,5-d…

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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 4.97 -60.52 3 5 1 82 270.36 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[3,5-dimethyl-1-(3-pyridylmethyl)pyrazol-4-yl]butan-2-amine (2S)-1-[3,5-dimethyl-1-(3-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) 1.04 5.53 -42.1 3 4 1 58 259.377 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[3,5-dimethyl-1-(3-pyridylmethyl)pyrazol-4-yl]butan-2-amine (2R)-1-[3,5-dimethyl-1-(3-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) 1.04 5.59 -43.75 3 4 1 58 259.377 5 ↓

Analogs

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Popular Name: 3-[[4-[(2S)-2-aminobutyl]-3,5-dimethyl-pyrazol-1-yl]methyl]pyridine-2-carbonitrile 3-[[4-[(2S)-2-aminobutyl]-3,5-di…

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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) 1.20 5.75 -50.08 3 5 1 82 284.387 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[4-[(2R)-2-aminobutyl]-3,5-dimethyl-pyrazol-1-yl]methyl]pyridine-2-carbonitrile 3-[[4-[(2R)-2-aminobutyl]-3,5-di…

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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) 1.20 5.81 -58.35 3 5 1 82 284.387 5 ↓

Analogs

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Popular Name: 4-chloro-1-(3-pyridylmethyl)pyrazol-3-amine 4-chloro-1-(3-pyridylmethyl)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) 0.96 3.74 -8.56 2 4 0 57 208.652 2 ↓

Analogs

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Popular Name: 3-[(3-amino-4-chloro-pyrazol-1-yl)methyl]pyridine-2-carbonitrile 3-[(3-amino-4-chloro-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) 1.12 3.9 -10.5 2 5 0 81 233.662 2 ↓

Analogs

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Popular Name: [5-[(4-chloro-3-nitro-pyrazol-1-yl)methyl]-2-pyridyl]hydrazine [5-[(4-chloro-3-nitro-pyrazol-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) 1.02 5.17 -15.49 3 8 0 115 268.664 4 ↓
Lo Low (pH 4.5-6) 1.02 5.65 -44.72 4 8 1 116 269.672 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [3-[(4-chloro-3-nitro-pyrazol-1-yl)methyl]-2-pyridyl]hydrazine [3-[(4-chloro-3-nitro-pyrazol-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) 0.96 5.25 -17.15 3 8 0 115 268.664 4 ↓
Lo Low (pH 4.5-6) 0.96 5.73 -41.5 4 8 1 116 269.672 4 ↓

Analogs

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Popular Name: 3-[(4-chloro-3-nitro-pyrazol-1-yl)methyl]pyridine 3-[(4-chloro-3-nitro-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) 1.43 6.53 -14.28 0 6 0 77 238.634 3 ↓

Analogs

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Popular Name: 4-methyl-1-(3-pyridylmethyl)pyrazol-3-amine 4-methyl-1-(3-pyridylmethyl)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) 0.73 3.92 -10.05 2 4 0 57 188.234 2 ↓

Analogs

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Popular Name: 3-[(3-amino-4-methyl-pyrazol-1-yl)methyl]pyridine-2-carbonitrile 3-[(3-amino-4-methyl-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) 0.89 4.08 -10.6 2 5 0 81 213.244 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [5-[(4-methyl-3-nitro-pyrazol-1-yl)methyl]-2-pyridyl]hydrazine [5-[(4-methyl-3-nitro-pyrazol-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) 0.79 5.29 -17.99 3 8 0 115 248.246 4 ↓
Lo Low (pH 4.5-6) 0.79 5.76 -40.89 4 8 1 116 249.254 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [3-[(4-methyl-3-nitro-pyrazol-1-yl)methyl]-2-pyridyl]hydrazine [3-[(4-methyl-3-nitro-pyrazol-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) 0.74 5.37 -16.66 3 8 0 115 248.246 4 ↓
Lo Low (pH 4.5-6) 0.74 5.85 -41.48 4 8 1 116 249.254 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-5-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]pyridine 2-chloro-5-[(4-chloro-3,5-dimeth…

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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 6.33 -9.9 0 3 0 31 256.136 2 ↓

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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 = 116624 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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