1-(4-chlorophenyl)-N-(3-fluoro-4-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide

C22H22ClFN4O — CID 20953866

IUPAC1-(4-chlorophenyl)-N-(3-fluoro-4-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2cnn(-c3ccc(Cl)cc3)c2C2CCNCC2)cc1F
InChIInChI=1S/C22H22ClFN4O/c1-14-2-5-17(12-20(14)24)27-22(29)19-13-26-28(18-6-3-16(23)4-7-18)21(19)15-8-10-25-11-9-15/h2-7,12-13,15,25H,8-11H2,1H3,(H,27,29)
InChIKeyCLVJQPWQICDMKG-UHFFFAOYSA-N
MW412.90 g/mol
LogP4.69
Rot. Bonds4

About 1-(4-chlorophenyl)-N-(3-fluoro-4-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide

1-(4-chlorophenyl)-N-(3-fluoro-4-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide (PubChem CID 20953866) has the molecular formula C22H22ClFN4O and a molecular weight of 412.90 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(3-fluoro-4-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(3-fluoro-4-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
PubChem CID20953866
Molecular FormulaC22H22ClFN4O
Molecular Weight412.90 g/mol
Exact Mass412.15
IUPAC Name1-(4-chlorophenyl)-N-(3-fluoro-4-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2cnn(-c3ccc(Cl)cc3)c2C2CCNCC2)cc1F
InChIInChI=1S/C22H22ClFN4O/c1-14-2-5-17(12-20(14)24)27-22(29)19-13-26-28(18-6-3-16(23)4-7-18)21(19)15-8-10-25-11-9-15/h2-7,12-13,15,25H,8-11H2,1H3,(H,27,29)
InChIKeyCLVJQPWQICDMKG-UHFFFAOYSA-N
XLogP4.69
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.90
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chloro-4-methylphenyl)-N-(3,4-dimethylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20867343
N-(4-bromophenyl)-1-(4-chlorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20924035
N-(3-chloro-5-methylphenyl)-1-(4-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
CID 122175687
N,1-bis(4-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20867242
N-(4-chlorophenyl)-1-(3-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
CID 146053171
1-(4-chlorophenyl)-5-piperidin-4-yl-N-(3,4,5-trimethoxyphenyl)pyrazole-4-carboxamide;hydrochloride
CID 146059779
N-(4-bromo-3-methylphenyl)-1-phenyl-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20854859
N-(2,5-dichlorophenyl)-1-(4-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide chloride
CID 53347568
N,1-bis(4-methoxyphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20953785
1-(3-chloro-4-methylphenyl)-N-(3,5-dimethoxyphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
CID 146051847
N-(2-chloro-4-methylphenyl)-1-(4-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20923939
N-(4-methoxyphenyl)-1-(4-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20953848

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-(3-fluoro-4-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-(3-fluoro-4-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide (CID 20953866) is 1-(4-chlorophenyl)-N-(3-fluoro-4-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(3-fluoro-4-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-(3-fluoro-4-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide is Cc1ccc(NC(=O)c2cnn(-c3ccc(Cl)cc3)c2C2CCNCC2)cc1F.
What is the InChIKey of 1-(4-chlorophenyl)-N-(3-fluoro-4-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide?
The InChIKey is CLVJQPWQICDMKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClFN4O/c1-14-2-5-17(12-20(14)24)27-22(29)19-13-26-28(18-6-3-16(23)4-7-18)21(19)15-8-10-25-11-9-15/h2-7,12-13,15,25H,8-11H2,1H3,(H,27,29).
What are the key properties of 1-(4-chlorophenyl)-N-(3-fluoro-4-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide?
1-(4-chlorophenyl)-N-(3-fluoro-4-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide has a molecular weight of 412.90 g/mol, XLogP of 4.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-(3-fluoro-4-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide is sourced from PubChem (CID 20953866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).