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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

20617101
20617101
20617349
20617349
2780980
2780980
2537297
2537297
2778634
2778634

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1,3-dimethylpyrazol-4-yl)methyl]-N,1-dimethyl-pyrazole-3-carboxamide N-[(1,3-dimethylpyrazol-4-yl)met…

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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) 0.06 4.92 -14.24 0 6 0 56 247.302 3 ↓

Analogs

2782164
2782164

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Popular Name: 4-bromo-N-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-1-methyl-pyrazole-3-carboxamide 4-bromo-N-[(1R)-1-(1,3-dimethylp…

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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) 1.11 -0.28 -14.06 1 6 0 64 326.198 3 ↓

Analogs

2782163
2782163

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Popular Name: 4-bromo-N-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-1-methyl-pyrazole-3-carboxamide 4-bromo-N-[(1S)-1-(1,3-dimethylp…

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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) 1.11 -0.27 -14.03 1 6 0 64 326.198 3 ↓

Analogs

2781890
2781890
2781891
2781891

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Popular Name: N-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-1-methyl-4-nitro-pyrazole-3-carboxamide N-[(1R)-1-(1,3-dimethylpyrazol-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) 0.26 5.15 -20.14 1 9 0 111 292.299 4 ↓

Analogs

2781890
2781890
2781891
2781891

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-1-methyl-4-nitro-pyrazole-3-carboxamide N-[(1S)-1-(1,3-dimethylpyrazol-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) 0.26 5.17 -20.15 1 9 0 111 292.299 4 ↓

Analogs

375146
375146
2782161
2782161

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Popular Name: 4-chloro-N-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-1,5-dimethyl-pyrazole-3-carboxamide 4-chloro-N-[(1R)-1-(1,3-dimethyl…

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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 4.53 -14.46 1 6 0 65 295.774 3 ↓

Analogs

375146
375146
2782161
2782161

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-N-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-1,5-dimethyl-pyrazole-3-carboxamide 4-chloro-N-[(1S)-1-(1,3-dimethyl…

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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 4.57 -14.38 1 6 0 65 295.774 3 ↓

Analogs

2782515
2782515
2774979
2774979
2781195
2781195

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Popular Name: N-[(1-ethylpyrazol-4-yl)methyl]-N,1-dimethyl-5-(trifluoromethyl)pyrazole-3-carboxamide N-[(1-ethylpyrazol-4-yl)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) 1.35 3.75 -10.24 0 6 0 55 315.299 5 ↓

Analogs

2782487
2782487

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Popular Name: N-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]-N,1-dimethyl-5-(trifluoromethyl)pyrazole-3-carboxamide N-[(1-ethyl-5-methyl-pyrazol-4-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) 1.57 3.64 -13.88 0 6 0 55 329.326 5 ↓

Analogs

2778482
2778482

Draw Identity 99% 90% 80% 70%

Popular Name: 4-bromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-methyl-pyrazole-3-carboxamide 4-bromo-N-[(1,3-dimethylpyrazol-…

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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) 0.55 -0.98 -13.34 1 6 0 64 312.171 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-ethyl-5-isopropyl-N-[(1-methylpyrazol-4-yl)methyl]-1H-pyrazole-3-carboxamide N-ethyl-5-isopropyl-N-[(1-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) 1.43 6.28 -10.67 1 6 0 67 275.356 5 ↓

Parameters Provided:

ring.id = 57010
filter.purchasability = annotated
page.format = targets
page.num = 1

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 = 57010 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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