1-(3-chloro-4-methylphenyl)-N-(3,4-dimethylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide

C24H27ClN4O — CID 20867343

IUPAC1-(3-chloro-4-methylphenyl)-N-(3,4-dimethylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2cnn(-c3ccc(C)c(Cl)c3)c2C2CCNCC2)cc1C
InChIInChI=1S/C24H27ClN4O/c1-15-4-6-19(12-17(15)3)28-24(30)21-14-27-29(20-7-5-16(2)22(25)13-20)23(21)18-8-10-26-11-9-18/h4-7,12-14,18,26H,8-11H2,1-3H3,(H,28,30)
InChIKeyRMNSYRAGDLISGU-UHFFFAOYSA-N
MW422.96 g/mol
LogP5.17
Rot. Bonds4

About 1-(3-chloro-4-methylphenyl)-N-(3,4-dimethylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide

1-(3-chloro-4-methylphenyl)-N-(3,4-dimethylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide (PubChem CID 20867343) has the molecular formula C24H27ClN4O and a molecular weight of 422.96 g/mol. Its IUPAC name is 1-(3-chloro-4-methylphenyl)-N-(3,4-dimethylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(3-chloro-4-methylphenyl)-N-(3,4-dimethylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
PubChem CID20867343
Molecular FormulaC24H27ClN4O
Molecular Weight422.96 g/mol
Exact Mass422.19
IUPAC Name1-(3-chloro-4-methylphenyl)-N-(3,4-dimethylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2cnn(-c3ccc(C)c(Cl)c3)c2C2CCNCC2)cc1C
InChIInChI=1S/C24H27ClN4O/c1-15-4-6-19(12-17(15)3)28-24(30)21-14-27-29(20-7-5-16(2)22(25)13-20)23(21)18-8-10-26-11-9-18/h4-7,12-14,18,26H,8-11H2,1-3H3,(H,28,30)
InChIKeyRMNSYRAGDLISGU-UHFFFAOYSA-N
XLogP5.17
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.96
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chloro-4-methylphenyl)-N-(3,5-dimethoxyphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
CID 146051847
1-(3-chloro-4-methylphenyl)-N-(2,5-dimethylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20924089
1-(3-chloro-4-methylphenyl)-N-(2,3-dimethylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20867340
1-(4-chlorophenyl)-N-(3-fluoro-4-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20953866
N-(3-chloro-2-methylphenyl)-1-(3,4-dimethylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20923962
N-(3-acetylphenyl)-1-(3-chloro-4-methylphenyl)-5-cyclopropylpyrazole-4-carboxamide
CID 55604602
1-(3,4-dimethylphenyl)-N-(2-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20923975
[1-(3-chloro-4-methylphenyl)-5-cyclopropylpyrazol-4-yl]-piperazin-1-ylmethanone
CID 119402776
1-(3-chloro-4-methylphenyl)-N-[(4-fluorophenyl)methyl]-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
CID 146053238
N-(4-bromo-3-methylphenyl)-1-phenyl-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20854859
N-(4-chlorophenyl)-1-(3-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
CID 146053171
N,1-bis(4-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20867242

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylphenyl)-N-(3,4-dimethylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide?
The IUPAC name of 1-(3-chloro-4-methylphenyl)-N-(3,4-dimethylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide (CID 20867343) is 1-(3-chloro-4-methylphenyl)-N-(3,4-dimethylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide.
What is the SMILES notation for 1-(3-chloro-4-methylphenyl)-N-(3,4-dimethylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide?
The canonical SMILES for 1-(3-chloro-4-methylphenyl)-N-(3,4-dimethylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide is Cc1ccc(NC(=O)c2cnn(-c3ccc(C)c(Cl)c3)c2C2CCNCC2)cc1C.
What is the InChIKey of 1-(3-chloro-4-methylphenyl)-N-(3,4-dimethylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide?
The InChIKey is RMNSYRAGDLISGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN4O/c1-15-4-6-19(12-17(15)3)28-24(30)21-14-27-29(20-7-5-16(2)22(25)13-20)23(21)18-8-10-26-11-9-18/h4-7,12-14,18,26H,8-11H2,1-3H3,(H,28,30).
What are the key properties of 1-(3-chloro-4-methylphenyl)-N-(3,4-dimethylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide?
1-(3-chloro-4-methylphenyl)-N-(3,4-dimethylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide has a molecular weight of 422.96 g/mol, XLogP of 5.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylphenyl)-N-(3,4-dimethylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide is sourced from PubChem (CID 20867343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).