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

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Popular Name: 5-[ethyl(2-thienylmethyl)amino]-1,3-dimethyl-pyrazole-4-carboxylic 5-[ethyl(2-thienylmethyl)amino]-…

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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) 2.01 9.08 -35.53 1 5 0 62 279.365 5 ↓
Hi High (pH 8-9.5) 2.01 8.96 -49.23 0 5 -1 61 278.357 5 ↓

Analogs

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Popular Name: N-ethyl-2,5-dimethyl-4-(methylaminomethyl)-N-(2-thienylmethyl)pyrazol-3-amine N-ethyl-2,5-dimethyl-4-(methylam…

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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) 2.00 7.98 -36.16 2 4 1 38 279.433 6 ↓
Hi High (pH 8-9.5) 2.00 6.5 -5.39 1 4 0 33 278.425 6 ↓
Mid Mid (pH 6-8) 2.00 8.11 -89.69 3 4 2 39 280.441 6 ↓

Analogs

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Popular Name: N-ethyl-4-(ethylaminomethyl)-2,5-dimethyl-N-(2-thienylmethyl)pyrazol-3-amine N-ethyl-4-(ethylaminomethyl)-2,5…

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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) 2.37 9.05 -40.44 2 4 1 38 293.46 7 ↓
Hi High (pH 8-9.5) 2.37 8.24 -4.92 1 4 0 33 292.452 7 ↓
Mid Mid (pH 6-8) 2.37 9.18 -94.63 3 4 2 39 294.468 7 ↓

Analogs

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Popular Name: N-ethyl-2,5-dimethyl-4-(propylaminomethyl)-N-(2-thienylmethyl)pyrazol-3-amine N-ethyl-2,5-dimethyl-4-(propylam…

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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) 2.87 9.8 -41.09 2 4 1 38 307.487 8 ↓
Hi High (pH 8-9.5) 2.87 9 -4.78 1 4 0 33 306.479 8 ↓
Mid Mid (pH 6-8) 2.87 9.93 -96.48 3 4 2 39 308.495 8 ↓

Analogs

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Popular Name: N-ethyl-4-[(isopropylamino)methyl]-2,5-dimethyl-N-(2-thienylmethyl)pyrazol-3-amine N-ethyl-4-[(isopropylamino)methy…

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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) 2.67 9.37 -39.52 2 4 1 38 307.487 7 ↓
Hi High (pH 8-9.5) 2.67 8.14 -5.04 1 4 0 33 306.479 7 ↓
Mid Mid (pH 6-8) 2.67 9.5 -87.99 3 4 2 39 308.495 7 ↓

Analogs

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Popular Name: (E)-3-[5-[ethyl(2-thienylmethyl)amino]-1,3-dimethyl-pyrazol-4-yl]prop-2-enoic (E)-3-[5-[ethyl(2-thienylmethyl)…

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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) 2.23 8.57 -55.49 1 5 0 62 305.403 6 ↓
Hi High (pH 8-9.5) 2.23 8.45 -52.98 0 5 -1 61 304.395 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(5-chloro-2-thienyl)methyl-methyl-amino]-1,3-dimethyl-pyrazole-4-carboxylic 5-[(5-chloro-2-thienyl)methyl-me…

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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) 2.43 8.98 -35.2 1 5 0 62 299.783 4 ↓
Hi High (pH 8-9.5) 2.43 8.83 -48.2 0 5 -1 61 298.775 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5-chloro-2-thienyl)methyl]-N,2,5-trimethyl-4-(methylaminomethyl)pyrazol-3-amine N-[(5-chloro-2-thienyl)methyl]-N…

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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) 2.42 7.81 -44.96 2 4 1 38 299.851 5 ↓
Hi High (pH 8-9.5) 2.42 6.33 -5.86 1 4 0 33 298.843 5 ↓
Lo Low (pH 4.5-6) 2.42 7.94 -99.71 3 4 2 39 300.859 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5-chloro-2-thienyl)methyl]-4-(ethylaminomethyl)-N,2,5-trimethyl-pyrazol-3-amine N-[(5-chloro-2-thienyl)methyl]-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) 2.80 8.52 -43.82 2 4 1 38 313.878 6 ↓
Hi High (pH 8-9.5) 2.80 7.13 -5.71 1 4 0 33 312.87 6 ↓
Lo Low (pH 4.5-6) 2.80 8.66 -98.6 3 4 2 39 314.886 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5-chloro-2-thienyl)methyl]-N,2,5-trimethyl-4-(propylaminomethyl)pyrazol-3-amine N-[(5-chloro-2-thienyl)methyl]-N…

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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) 3.30 9.28 -44.67 2 4 1 38 327.905 7 ↓
Hi High (pH 8-9.5) 3.30 7.9 -5.56 1 4 0 33 326.897 7 ↓
Lo Low (pH 4.5-6) 3.30 9.41 -100.59 3 4 2 39 328.913 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5-chloro-2-thienyl)methyl]-4-[(isopropylamino)methyl]-N,2,5-trimethyl-pyrazol-3-amine N-[(5-chloro-2-thienyl)methyl]-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) 3.09 9.19 -42.24 2 4 1 38 327.905 6 ↓
Hi High (pH 8-9.5) 3.09 7.96 -5.45 1 4 0 33 326.897 6 ↓
Lo Low (pH 4.5-6) 3.09 9.32 -98.61 3 4 2 39 328.913 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-[5-[(5-chloro-2-thienyl)methyl-methyl-amino]-1,3-dimethyl-pyrazol-4-yl]prop-2-enoic (E)-3-[5-[(5-chloro-2-thienyl)me…

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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) 2.65 8.36 -55.62 1 5 0 62 325.821 5 ↓
Hi High (pH 8-9.5) 2.65 8.22 -52.42 0 5 -1 61 324.813 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,5-dimethyl-N-[(3-methyl-2-thienyl)methyl]-4-nitro-pyrazol-3-amine 2,5-dimethyl-N-[(3-methyl-2-thie…

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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 6.54 -8.4 1 6 0 76 266.326 4 ↓

Analogs

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Popular Name: N-[(5-chloro-2-thienyl)methyl]-2,5-dimethyl-4-nitro-pyrazol-3-amine N-[(5-chloro-2-thienyl)methyl]-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) 2.58 6.59 -8.88 1 6 0 76 286.744 4 ↓

Analogs

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Popular Name: 2,5-dimethyl-N3-[(1S)-1-(2-thienyl)propyl]pyrazole-3,4-diamine 2,5-dimethyl-N3-[(1S)-1-(2-thien…

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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) 2.36 4.52 -4.93 3 4 0 56 250.371 4 ↓
Mid Mid (pH 6-8) 2.36 4.64 -25.76 4 4 1 57 251.379 4 ↓

Analogs

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Popular Name: 2,5-dimethyl-N3-[(1R)-1-(2-thienyl)propyl]pyrazole-3,4-diamine 2,5-dimethyl-N3-[(1R)-1-(2-thien…

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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) 2.36 4.24 -5.1 3 4 0 56 250.371 4 ↓
Mid Mid (pH 6-8) 2.36 4.36 -25.95 4 4 1 57 251.379 4 ↓

Analogs

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Popular Name: 2,5-dimethyl-4-nitro-N-[(1S)-1-(2-thienyl)propyl]pyrazol-3-amine 2,5-dimethyl-4-nitro-N-[(1S)-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) 2.84 7.4 -7.55 1 6 0 76 280.353 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,5-dimethyl-4-nitro-N-[(1R)-1-(2-thienyl)propyl]pyrazol-3-amine 2,5-dimethyl-4-nitro-N-[(1R)-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) 2.84 7.01 -7.12 1 6 0 76 280.353 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,5-dimethyl-N3-[(1S)-1-(2-thienyl)butyl]pyrazole-3,4-diamine 2,5-dimethyl-N3-[(1S)-1-(2-thien…

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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) 2.92 5.29 -4.8 3 4 0 56 264.398 5 ↓
Mid Mid (pH 6-8) 2.92 5.74 -26.52 4 4 1 57 265.406 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,5-dimethyl-N3-[(1R)-1-(2-thienyl)butyl]pyrazole-3,4-diamine 2,5-dimethyl-N3-[(1R)-1-(2-thien…

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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) 2.92 5.02 -5.05 3 4 0 56 264.398 5 ↓
Mid Mid (pH 6-8) 2.92 5.54 -26.01 4 4 1 57 265.406 5 ↓

Analogs

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Popular Name: 2,5-dimethyl-4-nitro-N-[(1S)-1-(2-thienyl)butyl]pyrazol-3-amine 2,5-dimethyl-4-nitro-N-[(1S)-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) 3.40 8.19 -7.44 1 6 0 76 294.38 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,5-dimethyl-4-nitro-N-[(1R)-1-(2-thienyl)butyl]pyrazol-3-amine 2,5-dimethyl-4-nitro-N-[(1R)-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) 3.40 7.78 -7.14 1 6 0 76 294.38 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,5-dimethyl-N3-[(1R)-2-methyl-1-(2-thienyl)propyl]pyrazole-3,4-diamine 2,5-dimethyl-N3-[(1R)-2-methyl-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) 2.60 5.2 -4.81 3 4 0 56 264.398 4 ↓
Mid Mid (pH 6-8) 2.60 5.57 -26.15 4 4 1 57 265.406 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,5-dimethyl-N3-[(1S)-2-methyl-1-(2-thienyl)propyl]pyrazole-3,4-diamine 2,5-dimethyl-N3-[(1S)-2-methyl-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) 2.60 4.98 -4.81 3 4 0 56 264.398 4 ↓
Mid Mid (pH 6-8) 2.60 5.24 -26.06 4 4 1 57 265.406 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,5-dimethyl-N-[(1R)-2-methyl-1-(2-thienyl)propyl]-4-nitro-pyrazol-3-amine 2,5-dimethyl-N-[(1R)-2-methyl-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) 3.08 7.51 -6.94 1 6 0 76 294.38 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,5-dimethyl-N-[(1S)-2-methyl-1-(2-thienyl)propyl]-4-nitro-pyrazol-3-amine 2,5-dimethyl-N-[(1S)-2-methyl-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) 3.08 7.9 -7.36 1 6 0 76 294.38 5 ↓

Analogs

36749410
36749410

Draw Identity 99% 90% 80% 70%

Popular Name: N3-ethyl-2,5-dimethyl-N3-(2-thienylmethyl)pyrazole-3,4-diamine N3-ethyl-2,5-dimethyl-N3-(2-thie…

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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) 1.92 6.16 -25.24 3 4 1 48 251.379 4 ↓
Hi High (pH 8-9.5) 1.92 6.04 -5.14 2 4 0 47 250.371 4 ↓

Parameters Provided:

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Structural Results Found: (before additional filtering)

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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 = 542694 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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