N-(2,4-difluorophenyl)-1-phenyl-5-piperidin-4-ylpyrazole-4-carboxamide

C21H20F2N4O — CID 20854855

IUPACN-(2,4-difluorophenyl)-1-phenyl-5-piperidin-4-ylpyrazole-4-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)c1cnn(-c2ccccc2)c1C1CCNCC1
InChIInChI=1S/C21H20F2N4O/c22-15-6-7-19(18(23)12-15)26-21(28)17-13-25-27(16-4-2-1-3-5-16)20(17)14-8-10-24-11-9-14/h1-7,12-14,24H,8-11H2,(H,26,28)
InChIKeyCPBZSXRHYFAUTR-UHFFFAOYSA-N
MW382.41 g/mol
LogP3.87
Rot. Bonds4

About N-(2,4-difluorophenyl)-1-phenyl-5-piperidin-4-ylpyrazole-4-carboxamide

N-(2,4-difluorophenyl)-1-phenyl-5-piperidin-4-ylpyrazole-4-carboxamide (PubChem CID 20854855) has the molecular formula C21H20F2N4O and a molecular weight of 382.41 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-1-phenyl-5-piperidin-4-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-1-phenyl-5-piperidin-4-ylpyrazole-4-carboxamide
PubChem CID20854855
Molecular FormulaC21H20F2N4O
Molecular Weight382.41 g/mol
Exact Mass382.16
IUPAC NameN-(2,4-difluorophenyl)-1-phenyl-5-piperidin-4-ylpyrazole-4-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)c1cnn(-c2ccccc2)c1C1CCNCC1
InChIInChI=1S/C21H20F2N4O/c22-15-6-7-19(18(23)12-15)26-21(28)17-13-25-27(16-4-2-1-3-5-16)20(17)14-8-10-24-11-9-14/h1-7,12-14,24H,8-11H2,(H,26,28)
InChIKeyCPBZSXRHYFAUTR-UHFFFAOYSA-N
XLogP3.87
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.41
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-fluorophenyl)-1-phenyl-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20953791
N-(4-bromo-2-fluorophenyl)-1-phenyl-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
CID 146051699
N-(2-methoxyphenyl)-1-phenyl-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20866625
N,1-bis(4-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20867242
N-(2,3-dimethylphenyl)-1-phenyl-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
CID 146053304
N-(2,4-dimethoxyphenyl)-1-(3-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
CID 146053336
N-(3,5-dimethoxyphenyl)-1-(3-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20924166
N-(5-chloro-2-methoxyphenyl)-1-(3-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
CID 146053351
N-(4-bromophenyl)-1-(3-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
CID 146053375
N-(4-bromophenyl)-1-(2,4-difluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
CID 146053227
N-(4-acetylphenyl)-1-phenyl-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20953788
N-(5-chloro-2,4-dimethoxyphenyl)-1-(3-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20924163

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-1-phenyl-5-piperidin-4-ylpyrazole-4-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-1-phenyl-5-piperidin-4-ylpyrazole-4-carboxamide (CID 20854855) is N-(2,4-difluorophenyl)-1-phenyl-5-piperidin-4-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-1-phenyl-5-piperidin-4-ylpyrazole-4-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-1-phenyl-5-piperidin-4-ylpyrazole-4-carboxamide is O=C(Nc1ccc(F)cc1F)c1cnn(-c2ccccc2)c1C1CCNCC1.
What is the InChIKey of N-(2,4-difluorophenyl)-1-phenyl-5-piperidin-4-ylpyrazole-4-carboxamide?
The InChIKey is CPBZSXRHYFAUTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N4O/c22-15-6-7-19(18(23)12-15)26-21(28)17-13-25-27(16-4-2-1-3-5-16)20(17)14-8-10-24-11-9-14/h1-7,12-14,24H,8-11H2,(H,26,28).
What are the key properties of N-(2,4-difluorophenyl)-1-phenyl-5-piperidin-4-ylpyrazole-4-carboxamide?
N-(2,4-difluorophenyl)-1-phenyl-5-piperidin-4-ylpyrazole-4-carboxamide has a molecular weight of 382.41 g/mol, XLogP of 3.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-1-phenyl-5-piperidin-4-ylpyrazole-4-carboxamide is sourced from PubChem (CID 20854855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).