1-(4-chlorophenyl)-N-(6-cyclohexyl-5-methyl-3-pyridinyl)-5-methylpyrazole-4-carboxamide

C23H25ClN4O — CID 157416031

IUPAC1-(4-chlorophenyl)-N-(6-cyclohexyl-5-methyl-3-pyridinyl)-5-methylpyrazole-4-carboxamide
SMILESCc1cc(NC(=O)c2cnn(-c3ccc(Cl)cc3)c2C)cnc1C1CCCCC1
InChIInChI=1S/C23H25ClN4O/c1-15-12-19(13-25-22(15)17-6-4-3-5-7-17)27-23(29)21-14-26-28(16(21)2)20-10-8-18(24)9-11-20/h8-14,17H,3-7H2,1-2H3,(H,27,29)
InChIKeyBOVWUVRGXGULSP-UHFFFAOYSA-N
MW408.93 g/mol
LogP5.84
Rot. Bonds4

About 1-(4-chlorophenyl)-N-(6-cyclohexyl-5-methyl-3-pyridinyl)-5-methylpyrazole-4-carboxamide

1-(4-chlorophenyl)-N-(6-cyclohexyl-5-methyl-3-pyridinyl)-5-methylpyrazole-4-carboxamide (PubChem CID 157416031) has the molecular formula C23H25ClN4O and a molecular weight of 408.93 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(6-cyclohexyl-5-methyl-3-pyridinyl)-5-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(6-cyclohexyl-5-methyl-3-pyridinyl)-5-methylpyrazole-4-carboxamide
PubChem CID157416031
Molecular FormulaC23H25ClN4O
Molecular Weight408.93 g/mol
Exact Mass408.17
IUPAC Name1-(4-chlorophenyl)-N-(6-cyclohexyl-5-methyl-3-pyridinyl)-5-methylpyrazole-4-carboxamide
SMILESCc1cc(NC(=O)c2cnn(-c3ccc(Cl)cc3)c2C)cnc1C1CCCCC1
InChIInChI=1S/C23H25ClN4O/c1-15-12-19(13-25-22(15)17-6-4-3-5-7-17)27-23(29)21-14-26-28(16(21)2)20-10-8-18(24)9-11-20/h8-14,17H,3-7H2,1-2H3,(H,27,29)
InChIKeyBOVWUVRGXGULSP-UHFFFAOYSA-N
XLogP5.84
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 ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-bromophenyl)-1-(4-chlorophenyl)-5-methylpyrazole-4-carboxamide
CID 24629396
1-(4-bromophenyl)-N-cycloheptyl-5-methylpyrazole-4-carboxamide
CID 31942281
1-(4-chlorophenyl)-N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-5-methylpyrazole-4-carboxamide
CID 2738780
1-(4-chlorophenyl)-N-[3-cyano-4-(4-hydroxypiperidin-1-yl)phenyl]-5-methylpyrazole-4-carboxamide;hydrate
CID 22228136
1-(4-chlorophenyl)-N-[4-(cyanomethoxy)phenyl]-5-methylpyrazole-4-carboxamide
CID 24629643
N-[6-(4-hydroxycyclohexen-1-yl)-5-methyl-3-pyridinyl]-5-methyl-1-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 86692587
1-(4-chlorophenyl)-N-(3-fluoro-4-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20953866
1-(4-chlorophenyl)-5-methylpyrazole-4-carbonyl chloride
CID 2776128
1-(4-chlorophenyl)-N-(3-cyano-4-piperidin-4-yloxyphenyl)-5-methylpyrazole-4-carboxamide
CID 22228133
1-(4-chlorophenyl)-N-[3-cyano-4-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]phenyl]-5-methylpyrazole-4-carboxamide;hydrate
CID 139946010
5-methyl-1-phenyl-N-(4-piperidin-1-ylphenyl)pyrazole-4-carboxamide
CID 41420930
N-(4-acetamido-3-methylphenyl)-5-methyl-1-(4-methylphenyl)pyrazole-4-carboxamide
CID 146075405

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-(6-cyclohexyl-5-methyl-3-pyridinyl)-5-methylpyrazole-4-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-(6-cyclohexyl-5-methyl-3-pyridinyl)-5-methylpyrazole-4-carboxamide (CID 157416031) is 1-(4-chlorophenyl)-N-(6-cyclohexyl-5-methyl-3-pyridinyl)-5-methylpyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(6-cyclohexyl-5-methyl-3-pyridinyl)-5-methylpyrazole-4-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-(6-cyclohexyl-5-methyl-3-pyridinyl)-5-methylpyrazole-4-carboxamide is Cc1cc(NC(=O)c2cnn(-c3ccc(Cl)cc3)c2C)cnc1C1CCCCC1.
What is the InChIKey of 1-(4-chlorophenyl)-N-(6-cyclohexyl-5-methyl-3-pyridinyl)-5-methylpyrazole-4-carboxamide?
The InChIKey is BOVWUVRGXGULSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN4O/c1-15-12-19(13-25-22(15)17-6-4-3-5-7-17)27-23(29)21-14-26-28(16(21)2)20-10-8-18(24)9-11-20/h8-14,17H,3-7H2,1-2H3,(H,27,29).
What are the key properties of 1-(4-chlorophenyl)-N-(6-cyclohexyl-5-methyl-3-pyridinyl)-5-methylpyrazole-4-carboxamide?
1-(4-chlorophenyl)-N-(6-cyclohexyl-5-methyl-3-pyridinyl)-5-methylpyrazole-4-carboxamide has a molecular weight of 408.93 g/mol, XLogP of 5.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-(6-cyclohexyl-5-methyl-3-pyridinyl)-5-methylpyrazole-4-carboxamide is sourced from PubChem (CID 157416031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).