N,1-bis(4-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide

C21H20F2N4O — CID 20867242

IUPACN,1-bis(4-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1cnn(-c2ccc(F)cc2)c1C1CCNCC1
InChIInChI=1S/C21H20F2N4O/c22-15-1-5-17(6-2-15)26-21(28)19-13-25-27(18-7-3-16(23)4-8-18)20(19)14-9-11-24-12-10-14/h1-8,13-14,24H,9-12H2,(H,26,28)
InChIKeyMVQQDGYANKLRCG-UHFFFAOYSA-N
MW382.41 g/mol
LogP3.87
Rot. Bonds4

About N,1-bis(4-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide

N,1-bis(4-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide (PubChem CID 20867242) has the molecular formula C21H20F2N4O and a molecular weight of 382.41 g/mol. Its IUPAC name is N,1-bis(4-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN,1-bis(4-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
PubChem CID20867242
Molecular FormulaC21H20F2N4O
Molecular Weight382.41 g/mol
Exact Mass382.16
IUPAC NameN,1-bis(4-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1cnn(-c2ccc(F)cc2)c1C1CCNCC1
InChIInChI=1S/C21H20F2N4O/c22-15-1-5-17(6-2-15)26-21(28)19-13-25-27(18-7-3-16(23)4-8-18)20(19)14-9-11-24-12-10-14/h1-8,13-14,24H,9-12H2,(H,26,28)
InChIKeyMVQQDGYANKLRCG-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,1-bis(4-methoxyphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20953785
N-(3-chloro-5-methylphenyl)-1-(4-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
CID 122175687
N-(4-bromophenyl)-1-(4-chlorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20924035
1-(2-chlorophenyl)-N-(4-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20924142
N-(4-methoxyphenyl)-1-(4-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20953848
N-(4-bromophenyl)-1-(3-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
CID 146053375
1-(4-chlorophenyl)-N-(3-fluoro-4-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20953866
N-(4-acetylphenyl)-1-phenyl-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20953788
N-(2,4-difluorophenyl)-1-phenyl-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20854855
N-(4-bromophenyl)-1-(2,4-difluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
CID 146053227
N-(2-fluorophenyl)-1-phenyl-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20953791
N-(3,5-dimethoxyphenyl)-1-(3-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20924166

Frequently Asked Questions

What is the IUPAC name of N,1-bis(4-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide?
The IUPAC name of N,1-bis(4-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide (CID 20867242) is N,1-bis(4-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide.
What is the SMILES notation for N,1-bis(4-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide?
The canonical SMILES for N,1-bis(4-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide is O=C(Nc1ccc(F)cc1)c1cnn(-c2ccc(F)cc2)c1C1CCNCC1.
What is the InChIKey of N,1-bis(4-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide?
The InChIKey is MVQQDGYANKLRCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N4O/c22-15-1-5-17(6-2-15)26-21(28)19-13-25-27(18-7-3-16(23)4-8-18)20(19)14-9-11-24-12-10-14/h1-8,13-14,24H,9-12H2,(H,26,28).
What are the key properties of N,1-bis(4-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide?
N,1-bis(4-fluorophenyl)-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,1-bis(4-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide is sourced from PubChem (CID 20867242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).