N-(1-benzylpiperidin-4-yl)-3-(2-chlorophenyl)-1-(4-methylphenyl)pyrazole-5-carboxamide

C29H29ClN4O — CID 5036469

IUPACN-(1-benzylpiperidin-4-yl)-3-(2-chlorophenyl)-1-(4-methylphenyl)pyrazole-5-carboxamide
SMILESCc1ccc(-n2nc(-c3ccccc3Cl)cc2C(=O)NC2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C29H29ClN4O/c1-21-11-13-24(14-12-21)34-28(19-27(32-34)25-9-5-6-10-26(25)30)29(35)31-23-15-17-33(18-16-23)20-22-7-3-2-4-8-22/h2-14,19,23H,15-18,20H2,1H3,(H,31,35)
InChIKeyHYNCJQPURRPQEF-UHFFFAOYSA-N
MW485.03 g/mol
LogP5.90
Rot. Bonds6

About N-(1-benzylpiperidin-4-yl)-3-(2-chlorophenyl)-1-(4-methylphenyl)pyrazole-5-carboxamide

N-(1-benzylpiperidin-4-yl)-3-(2-chlorophenyl)-1-(4-methylphenyl)pyrazole-5-carboxamide (PubChem CID 5036469) has the molecular formula C29H29ClN4O and a molecular weight of 485.03 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-3-(2-chlorophenyl)-1-(4-methylphenyl)pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-3-(2-chlorophenyl)-1-(4-methylphenyl)pyrazole-5-carboxamide
PubChem CID5036469
Molecular FormulaC29H29ClN4O
Molecular Weight485.03 g/mol
Exact Mass484.20
IUPAC NameN-(1-benzylpiperidin-4-yl)-3-(2-chlorophenyl)-1-(4-methylphenyl)pyrazole-5-carboxamide
SMILESCc1ccc(-n2nc(-c3ccccc3Cl)cc2C(=O)NC2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C29H29ClN4O/c1-21-11-13-24(14-12-21)34-28(19-27(32-34)25-9-5-6-10-26(25)30)29(35)31-23-15-17-33(18-16-23)20-22-7-3-2-4-8-22/h2-14,19,23H,15-18,20H2,1H3,(H,31,35)
InChIKeyHYNCJQPURRPQEF-UHFFFAOYSA-N
XLogP5.90
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.03
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-chlorophenyl)-N-cyclohexyl-1-(4-methylphenyl)pyrazole-5-carboxamide
CID 5038891
N-(1-benzylpiperidin-4-yl)-1-(4-methylphenyl)-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide
CID 4240293
3-(2-chlorophenyl)-N-cyclohexyl-1-phenylpyrazole-5-carboxamide
CID 4521775
3-(2-chlorophenyl)-N-cyclopropyl-1-(4-fluorophenyl)pyrazole-5-carboxamide
CID 4005097
N-(1-benzylpiperidin-4-yl)-3-(3-methoxyphenyl)-1-(3-methylphenyl)pyrazole-5-carboxamide
CID 3882518
N-(1-benzylpiperidin-4-yl)-3-methyl-1-(4-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20915182
N-(1-benzylpiperidin-4-yl)-1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 10310621
N-(1-benzylpiperidin-4-yl)-5-(furan-3-yl)-1-(4-methylphenyl)-1,2,4-triazole-3-carboxamide
CID 42692911
1-[3-(2-chlorophenyl)-1-(4-methylphenyl)pyrazole-5-carbonyl]piperidine-4-carboxamide
CID 42759343
N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]benzamide
CID 2729497
[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[3-(2-chlorophenyl)-1-(4-methylphenyl)pyrazol-5-yl]methanone
CID 42759340
N-(1-benzylpiperidin-4-yl)-3,4-dichlorobenzamide
CID 17250317

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-3-(2-chlorophenyl)-1-(4-methylphenyl)pyrazole-5-carboxamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-3-(2-chlorophenyl)-1-(4-methylphenyl)pyrazole-5-carboxamide (CID 5036469) is N-(1-benzylpiperidin-4-yl)-3-(2-chlorophenyl)-1-(4-methylphenyl)pyrazole-5-carboxamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-3-(2-chlorophenyl)-1-(4-methylphenyl)pyrazole-5-carboxamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-3-(2-chlorophenyl)-1-(4-methylphenyl)pyrazole-5-carboxamide is Cc1ccc(-n2nc(-c3ccccc3Cl)cc2C(=O)NC2CCN(Cc3ccccc3)CC2)cc1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-3-(2-chlorophenyl)-1-(4-methylphenyl)pyrazole-5-carboxamide?
The InChIKey is HYNCJQPURRPQEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29ClN4O/c1-21-11-13-24(14-12-21)34-28(19-27(32-34)25-9-5-6-10-26(25)30)29(35)31-23-15-17-33(18-16-23)20-22-7-3-2-4-8-22/h2-14,19,23H,15-18,20H2,1H3,(H,31,35).
What are the key properties of N-(1-benzylpiperidin-4-yl)-3-(2-chlorophenyl)-1-(4-methylphenyl)pyrazole-5-carboxamide?
N-(1-benzylpiperidin-4-yl)-3-(2-chlorophenyl)-1-(4-methylphenyl)pyrazole-5-carboxamide has a molecular weight of 485.03 g/mol, XLogP of 5.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-3-(2-chlorophenyl)-1-(4-methylphenyl)pyrazole-5-carboxamide is sourced from PubChem (CID 5036469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).