1-(2-chlorophenyl)-N-(4-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide

C21H20ClFN4O — CID 20924142

IUPAC1-(2-chlorophenyl)-N-(4-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1cnn(-c2ccccc2Cl)c1C1CCNCC1
InChIInChI=1S/C21H20ClFN4O/c22-18-3-1-2-4-19(18)27-20(14-9-11-24-12-10-14)17(13-25-27)21(28)26-16-7-5-15(23)6-8-16/h1-8,13-14,24H,9-12H2,(H,26,28)
InChIKeyIRUZOMYDTHAFFK-UHFFFAOYSA-N
MW398.87 g/mol
LogP4.38
Rot. Bonds4

About 1-(2-chlorophenyl)-N-(4-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide

1-(2-chlorophenyl)-N-(4-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide (PubChem CID 20924142) has the molecular formula C21H20ClFN4O and a molecular weight of 398.87 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-(4-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-(4-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
PubChem CID20924142
Molecular FormulaC21H20ClFN4O
Molecular Weight398.87 g/mol
Exact Mass398.13
IUPAC Name1-(2-chlorophenyl)-N-(4-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1cnn(-c2ccccc2Cl)c1C1CCNCC1
InChIInChI=1S/C21H20ClFN4O/c22-18-3-1-2-4-19(18)27-20(14-9-11-24-12-10-14)17(13-25-27)21(28)26-16-7-5-15(23)6-8-16/h1-8,13-14,24H,9-12H2,(H,26,28)
InChIKeyIRUZOMYDTHAFFK-UHFFFAOYSA-N
XLogP4.38
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.87
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N,1-bis(4-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20867242
1-(3-chloro-2-methylphenyl)-N-(3-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20953814
N-(4-bromophenyl)-1-(2,4-difluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
CID 146053227
1-(3-chloro-2-methylphenyl)-5-piperidin-4-yl-N-(2,3,5,6-tetrafluorophenyl)pyrazole-4-carboxamide
CID 46280305
N-(3-chloro-5-methylphenyl)-1-(4-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
CID 122175687
N-(4-bromophenyl)-1-(3-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
CID 146053375
1-(2,4-difluorophenyl)-N-(4-ethoxyphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
CID 146053220
N-(4-bromophenyl)-1-(4-chlorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20924035
N-(4-acetylphenyl)-1-phenyl-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20953788
1-(2-chlorophenyl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-5-piperidin-4-ylpyrazole-4-carboxamide
CID 50759311
1-(2,4-difluorophenyl)-N-(3-ethylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20924053
N-(2,4-difluorophenyl)-1-phenyl-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20854855

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-(4-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide?
The IUPAC name of 1-(2-chlorophenyl)-N-(4-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide (CID 20924142) is 1-(2-chlorophenyl)-N-(4-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide.
What is the SMILES notation for 1-(2-chlorophenyl)-N-(4-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide?
The canonical SMILES for 1-(2-chlorophenyl)-N-(4-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide is O=C(Nc1ccc(F)cc1)c1cnn(-c2ccccc2Cl)c1C1CCNCC1.
What is the InChIKey of 1-(2-chlorophenyl)-N-(4-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide?
The InChIKey is IRUZOMYDTHAFFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClFN4O/c22-18-3-1-2-4-19(18)27-20(14-9-11-24-12-10-14)17(13-25-27)21(28)26-16-7-5-15(23)6-8-16/h1-8,13-14,24H,9-12H2,(H,26,28).
What are the key properties of 1-(2-chlorophenyl)-N-(4-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide?
1-(2-chlorophenyl)-N-(4-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide has a molecular weight of 398.87 g/mol, XLogP of 4.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-(4-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide is sourced from PubChem (CID 20924142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).