5-(4-chlorophenyl)-4-methyl-N-(4-methylcyclohexyl)-1-pyridin-2-ylpyrazole-3-carboxamide

C23H25ClN4O — CID 129010780

IUPAC5-(4-chlorophenyl)-4-methyl-N-(4-methylcyclohexyl)-1-pyridin-2-ylpyrazole-3-carboxamide
SMILESCc1c(C(=O)NC2CCC(C)CC2)nn(-c2ccccn2)c1-c1ccc(Cl)cc1
InChIInChI=1S/C23H25ClN4O/c1-15-6-12-19(13-7-15)26-23(29)21-16(2)22(17-8-10-18(24)11-9-17)28(27-21)20-5-3-4-14-25-20/h3-5,8-11,14-15,19H,6-7,12-13H2,1-2H3,(H,26,29)
InChIKeyWYYVOMVLKYQGJV-UHFFFAOYSA-N
MW408.93 g/mol
LogP5.20
Rot. Bonds4

About 5-(4-chlorophenyl)-4-methyl-N-(4-methylcyclohexyl)-1-pyridin-2-ylpyrazole-3-carboxamide

5-(4-chlorophenyl)-4-methyl-N-(4-methylcyclohexyl)-1-pyridin-2-ylpyrazole-3-carboxamide (PubChem CID 129010780) has the molecular formula C23H25ClN4O and a molecular weight of 408.93 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-4-methyl-N-(4-methylcyclohexyl)-1-pyridin-2-ylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-4-methyl-N-(4-methylcyclohexyl)-1-pyridin-2-ylpyrazole-3-carboxamide
PubChem CID129010780
Molecular FormulaC23H25ClN4O
Molecular Weight408.93 g/mol
Exact Mass408.17
IUPAC Name5-(4-chlorophenyl)-4-methyl-N-(4-methylcyclohexyl)-1-pyridin-2-ylpyrazole-3-carboxamide
SMILESCc1c(C(=O)NC2CCC(C)CC2)nn(-c2ccccn2)c1-c1ccc(Cl)cc1
InChIInChI=1S/C23H25ClN4O/c1-15-6-12-19(13-7-15)26-23(29)21-16(2)22(17-8-10-18(24)11-9-17)28(27-21)20-5-3-4-14-25-20/h3-5,8-11,14-15,19H,6-7,12-13H2,1-2H3,(H,26,29)
InChIKeyWYYVOMVLKYQGJV-UHFFFAOYSA-N
XLogP5.20
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.93
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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2-(4-chlorophenyl)-5-[6-[(3S)-3-(methylamino)pyrrolidin-1-yl]-3-pyridinyl]-4H-pyrrolo[3,4-c]pyrazol-6-one
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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-4-methyl-N-(4-methylcyclohexyl)-1-pyridin-2-ylpyrazole-3-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-4-methyl-N-(4-methylcyclohexyl)-1-pyridin-2-ylpyrazole-3-carboxamide (CID 129010780) is 5-(4-chlorophenyl)-4-methyl-N-(4-methylcyclohexyl)-1-pyridin-2-ylpyrazole-3-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-4-methyl-N-(4-methylcyclohexyl)-1-pyridin-2-ylpyrazole-3-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-4-methyl-N-(4-methylcyclohexyl)-1-pyridin-2-ylpyrazole-3-carboxamide is Cc1c(C(=O)NC2CCC(C)CC2)nn(-c2ccccn2)c1-c1ccc(Cl)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-4-methyl-N-(4-methylcyclohexyl)-1-pyridin-2-ylpyrazole-3-carboxamide?
The InChIKey is WYYVOMVLKYQGJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN4O/c1-15-6-12-19(13-7-15)26-23(29)21-16(2)22(17-8-10-18(24)11-9-17)28(27-21)20-5-3-4-14-25-20/h3-5,8-11,14-15,19H,6-7,12-13H2,1-2H3,(H,26,29).
What are the key properties of 5-(4-chlorophenyl)-4-methyl-N-(4-methylcyclohexyl)-1-pyridin-2-ylpyrazole-3-carboxamide?
5-(4-chlorophenyl)-4-methyl-N-(4-methylcyclohexyl)-1-pyridin-2-ylpyrazole-3-carboxamide has a molecular weight of 408.93 g/mol, XLogP of 5.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-4-methyl-N-(4-methylcyclohexyl)-1-pyridin-2-ylpyrazole-3-carboxamide is sourced from PubChem (CID 129010780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).