N-(1-benzylpiperidin-4-yl)-5-(4-chlorophenyl)-1H-pyrazole-4-carboxamide

C22H23ClN4O — CID 46341484

IUPACN-(1-benzylpiperidin-4-yl)-5-(4-chlorophenyl)-1H-pyrazole-4-carboxamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)c1cn[nH]c1-c1ccc(Cl)cc1
InChIInChI=1S/C22H23ClN4O/c23-18-8-6-17(7-9-18)21-20(14-24-26-21)22(28)25-19-10-12-27(13-11-19)15-16-4-2-1-3-5-16/h1-9,14,19H,10-13,15H2,(H,24,26)(H,25,28)
InChIKeyKXPWNLXSCJSEQG-UHFFFAOYSA-N
MW394.91 g/mol
LogP4.12
Rot. Bonds5

About N-(1-benzylpiperidin-4-yl)-5-(4-chlorophenyl)-1H-pyrazole-4-carboxamide

N-(1-benzylpiperidin-4-yl)-5-(4-chlorophenyl)-1H-pyrazole-4-carboxamide (PubChem CID 46341484) has the molecular formula C22H23ClN4O and a molecular weight of 394.91 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-5-(4-chlorophenyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-5-(4-chlorophenyl)-1H-pyrazole-4-carboxamide
PubChem CID46341484
Molecular FormulaC22H23ClN4O
Molecular Weight394.91 g/mol
Exact Mass394.16
IUPAC NameN-(1-benzylpiperidin-4-yl)-5-(4-chlorophenyl)-1H-pyrazole-4-carboxamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)c1cn[nH]c1-c1ccc(Cl)cc1
InChIInChI=1S/C22H23ClN4O/c23-18-8-6-17(7-9-18)21-20(14-24-26-21)22(28)25-19-10-12-27(13-11-19)15-16-4-2-1-3-5-16/h1-9,14,19H,10-13,15H2,(H,24,26)(H,25,28)
InChIKeyKXPWNLXSCJSEQG-UHFFFAOYSA-N
XLogP4.12
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.91
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-chlorophenyl)-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-1H-pyrazole-4-carboxamide
CID 55951354
N-(1-ethylpiperidin-4-yl)-5-phenyl-1H-pyrazole-4-carboxamide
CID 146131304
N-(1-benzylpyrrolidin-3-yl)-5-thiophen-3-yl-1H-pyrazole-4-carboxamide
CID 139011250
ethyl 4-[[5-(4-chlorophenyl)-1H-pyrazole-4-carbonyl]amino]piperidine-1-carboxylate
CID 17409577
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methylbenzamide
CID 18121058
N-(1-benzylpiperidin-4-yl)-3,5-dichloro-2-iodobenzamide
CID 26691477
N-(1,1-dioxothian-4-yl)-5-phenyl-1H-pyrazole-4-carboxamide
CID 60511818
N-(4-aminocyclohexyl)-5-phenyl-1H-pyrazole-4-carboxamide;hydrochloride
CID 119475103
2-(aminomethyl)-N-(1-benzylpiperidin-4-yl)benzamide
CID 110451979
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 55706590
5-(4-chlorophenyl)-N-[(1S,2R)-2-hydroxycyclohexyl]-1H-pyrazole-4-carboxamide
CID 155953824
2-anilino-N-(1-benzylpiperidin-4-yl)benzamide
CID 27673255

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-5-(4-chlorophenyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-5-(4-chlorophenyl)-1H-pyrazole-4-carboxamide (CID 46341484) is N-(1-benzylpiperidin-4-yl)-5-(4-chlorophenyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-5-(4-chlorophenyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-5-(4-chlorophenyl)-1H-pyrazole-4-carboxamide is O=C(NC1CCN(Cc2ccccc2)CC1)c1cn[nH]c1-c1ccc(Cl)cc1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-5-(4-chlorophenyl)-1H-pyrazole-4-carboxamide?
The InChIKey is KXPWNLXSCJSEQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O/c23-18-8-6-17(7-9-18)21-20(14-24-26-21)22(28)25-19-10-12-27(13-11-19)15-16-4-2-1-3-5-16/h1-9,14,19H,10-13,15H2,(H,24,26)(H,25,28).
What are the key properties of N-(1-benzylpiperidin-4-yl)-5-(4-chlorophenyl)-1H-pyrazole-4-carboxamide?
N-(1-benzylpiperidin-4-yl)-5-(4-chlorophenyl)-1H-pyrazole-4-carboxamide has a molecular weight of 394.91 g/mol, XLogP of 4.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-5-(4-chlorophenyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 46341484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).