4-hydroxy-N-(6-imidazol-1-yl-3-pyridinyl)-1-(4-propan-2-ylphenyl)pyrazole-3-carboxamide

C21H20N6O2 — CID 167905501

IUPAC4-hydroxy-N-(6-imidazol-1-yl-3-pyridinyl)-1-(4-propan-2-ylphenyl)pyrazole-3-carboxamide
SMILESCC(C)c1ccc(-n2cc(O)c(C(=O)Nc3ccc(-n4ccnc4)nc3)n2)cc1
InChIInChI=1S/C21H20N6O2/c1-14(2)15-3-6-17(7-4-15)27-12-18(28)20(25-27)21(29)24-16-5-8-19(23-11-16)26-10-9-22-13-26/h3-14,28H,1-2H3,(H,24,29)
InChIKeyIZUQJETVNLCADQ-UHFFFAOYSA-N
MW388.43 g/mol
LogP3.53
Rot. Bonds5

About 4-hydroxy-N-(6-imidazol-1-yl-3-pyridinyl)-1-(4-propan-2-ylphenyl)pyrazole-3-carboxamide

4-hydroxy-N-(6-imidazol-1-yl-3-pyridinyl)-1-(4-propan-2-ylphenyl)pyrazole-3-carboxamide (PubChem CID 167905501) has the molecular formula C21H20N6O2 and a molecular weight of 388.43 g/mol. Its IUPAC name is 4-hydroxy-N-(6-imidazol-1-yl-3-pyridinyl)-1-(4-propan-2-ylphenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-(6-imidazol-1-yl-3-pyridinyl)-1-(4-propan-2-ylphenyl)pyrazole-3-carboxamide
PubChem CID167905501
Molecular FormulaC21H20N6O2
Molecular Weight388.43 g/mol
Exact Mass388.16
IUPAC Name4-hydroxy-N-(6-imidazol-1-yl-3-pyridinyl)-1-(4-propan-2-ylphenyl)pyrazole-3-carboxamide
SMILESCC(C)c1ccc(-n2cc(O)c(C(=O)Nc3ccc(-n4ccnc4)nc3)n2)cc1
InChIInChI=1S/C21H20N6O2/c1-14(2)15-3-6-17(7-4-15)27-12-18(28)20(25-27)21(29)24-16-5-8-19(23-11-16)26-10-9-22-13-26/h3-14,28H,1-2H3,(H,24,29)
InChIKeyIZUQJETVNLCADQ-UHFFFAOYSA-N
XLogP3.53
TPSA97.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(6-imidazol-1-yl-3-pyridinyl)-2-methylpropanamide
CID 35437698
4-hydroxy-1-phenyl-N-(6-pyrrolidin-1-yl-3-pyridinyl)pyrazole-3-carboxamide
CID 126777508
2-chloro-N-(6-imidazol-1-yl-3-pyridinyl)furan-3-carboxamide
CID 106685994
1-(4-chlorophenyl)-3-(6-imidazol-1-yl-3-pyridinyl)urea
CID 90564862
N-(6-imidazol-1-yl-3-pyridinyl)-1H-pyrazole-4-carboxamide
CID 60965851
N-[2-(ethylamino)ethyl]-4-hydroxy-1-(4-propan-2-ylphenyl)pyrazole-3-carboxamide;hydrochloride
CID 119509580
N-(6-imidazol-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide
CID 35438277
(2S)-2-[ethyl(methyl)amino]-N-(6-imidazol-1-yl-3-pyridinyl)-2-phenylacetamide
CID 95292032
N-(6-imidazol-1-yl-3-pyridinyl)butanamide
CID 35437719
2-bromo-N-(6-imidazol-1-yl-3-pyridinyl)butanamide
CID 62855029
1-benzhydryl-3-(6-imidazol-1-yl-3-pyridinyl)urea
CID 90564893
N-(6-imidazol-1-yl-3-pyridinyl)-2-phenoxybenzamide
CID 39567819

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-(6-imidazol-1-yl-3-pyridinyl)-1-(4-propan-2-ylphenyl)pyrazole-3-carboxamide?
The IUPAC name of 4-hydroxy-N-(6-imidazol-1-yl-3-pyridinyl)-1-(4-propan-2-ylphenyl)pyrazole-3-carboxamide (CID 167905501) is 4-hydroxy-N-(6-imidazol-1-yl-3-pyridinyl)-1-(4-propan-2-ylphenyl)pyrazole-3-carboxamide.
What is the SMILES notation for 4-hydroxy-N-(6-imidazol-1-yl-3-pyridinyl)-1-(4-propan-2-ylphenyl)pyrazole-3-carboxamide?
The canonical SMILES for 4-hydroxy-N-(6-imidazol-1-yl-3-pyridinyl)-1-(4-propan-2-ylphenyl)pyrazole-3-carboxamide is CC(C)c1ccc(-n2cc(O)c(C(=O)Nc3ccc(-n4ccnc4)nc3)n2)cc1.
What is the InChIKey of 4-hydroxy-N-(6-imidazol-1-yl-3-pyridinyl)-1-(4-propan-2-ylphenyl)pyrazole-3-carboxamide?
The InChIKey is IZUQJETVNLCADQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O2/c1-14(2)15-3-6-17(7-4-15)27-12-18(28)20(25-27)21(29)24-16-5-8-19(23-11-16)26-10-9-22-13-26/h3-14,28H,1-2H3,(H,24,29).
What are the key properties of 4-hydroxy-N-(6-imidazol-1-yl-3-pyridinyl)-1-(4-propan-2-ylphenyl)pyrazole-3-carboxamide?
4-hydroxy-N-(6-imidazol-1-yl-3-pyridinyl)-1-(4-propan-2-ylphenyl)pyrazole-3-carboxamide has a molecular weight of 388.43 g/mol, XLogP of 3.53, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-(6-imidazol-1-yl-3-pyridinyl)-1-(4-propan-2-ylphenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 167905501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).