1-[3-(2-chlorophenyl)-1-(4-methylphenyl)pyrazole-5-carbonyl]piperidine-4-carboxamide

C23H23ClN4O2 — CID 42759343

IUPAC1-[3-(2-chlorophenyl)-1-(4-methylphenyl)pyrazole-5-carbonyl]piperidine-4-carboxamide
SMILESCc1ccc(-n2nc(-c3ccccc3Cl)cc2C(=O)N2CCC(C(N)=O)CC2)cc1
InChIInChI=1S/C23H23ClN4O2/c1-15-6-8-17(9-7-15)28-21(14-20(26-28)18-4-2-3-5-19(18)24)23(30)27-12-10-16(11-13-27)22(25)29/h2-9,14,16H,10-13H2,1H3,(H2,25,29)
InChIKeyWZNWTACDPURPDT-UHFFFAOYSA-N
MW422.92 g/mol
LogP3.84
Rot. Bonds4

About 1-[3-(2-chlorophenyl)-1-(4-methylphenyl)pyrazole-5-carbonyl]piperidine-4-carboxamide

1-[3-(2-chlorophenyl)-1-(4-methylphenyl)pyrazole-5-carbonyl]piperidine-4-carboxamide (PubChem CID 42759343) has the molecular formula C23H23ClN4O2 and a molecular weight of 422.92 g/mol. Its IUPAC name is 1-[3-(2-chlorophenyl)-1-(4-methylphenyl)pyrazole-5-carbonyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-(2-chlorophenyl)-1-(4-methylphenyl)pyrazole-5-carbonyl]piperidine-4-carboxamide
PubChem CID42759343
Molecular FormulaC23H23ClN4O2
Molecular Weight422.92 g/mol
Exact Mass422.15
IUPAC Name1-[3-(2-chlorophenyl)-1-(4-methylphenyl)pyrazole-5-carbonyl]piperidine-4-carboxamide
SMILESCc1ccc(-n2nc(-c3ccccc3Cl)cc2C(=O)N2CCC(C(N)=O)CC2)cc1
InChIInChI=1S/C23H23ClN4O2/c1-15-6-8-17(9-7-15)28-21(14-20(26-28)18-4-2-3-5-19(18)24)23(30)27-12-10-16(11-13-27)22(25)29/h2-9,14,16H,10-13H2,1H3,(H2,25,29)
InChIKeyWZNWTACDPURPDT-UHFFFAOYSA-N
XLogP3.84
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.92
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(2-chlorophenyl)-1-(4-methylphenyl)pyrazol-5-yl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone
CID 42759339
ethyl 4-[3-(2-chlorophenyl)-1-(4-fluorophenyl)pyrazole-5-carbonyl]piperazine-1-carboxylate
CID 42759373
[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[3-(2-chlorophenyl)-1-(4-methylphenyl)pyrazol-5-yl]methanone
CID 42759340
[3-(2-chlorophenyl)-1-(4-fluorophenyl)pyrazol-5-yl]-(4-ethylpiperazin-1-yl)methanone
CID 42759370
3-(2-chlorophenyl)-N-cyclohexyl-1-(4-methylphenyl)pyrazole-5-carboxamide
CID 5038891
1-[1-(4-chlorophenyl)-3-(3-methoxyphenyl)pyrazole-5-carbonyl]piperidine-4-carboxamide
CID 4242006
[3-(2-chlorophenyl)-1-phenylpyrazol-5-yl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 3953620
ethyl 1-[3-(2-chlorophenyl)-1-(4-fluorophenyl)pyrazole-5-carbonyl]piperidine-3-carboxylate
CID 42759372
1-[1-(2-chlorophenyl)-3-(2,4-dimethoxyphenyl)pyrazole-5-carbonyl]piperidine-4-carboxamide
CID 42759040
[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]-piperidin-1-ylmethanone
CID 811995
N-(1-benzylpiperidin-4-yl)-3-(2-chlorophenyl)-1-(4-methylphenyl)pyrazole-5-carboxamide
CID 5036469
1-[1-(3-chlorophenyl)-3-(2,4-dimethoxyphenyl)pyrazole-5-carbonyl]piperidine-4-carboxamide
CID 42758938

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-chlorophenyl)-1-(4-methylphenyl)pyrazole-5-carbonyl]piperidine-4-carboxamide?
The IUPAC name of 1-[3-(2-chlorophenyl)-1-(4-methylphenyl)pyrazole-5-carbonyl]piperidine-4-carboxamide (CID 42759343) is 1-[3-(2-chlorophenyl)-1-(4-methylphenyl)pyrazole-5-carbonyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-(2-chlorophenyl)-1-(4-methylphenyl)pyrazole-5-carbonyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[3-(2-chlorophenyl)-1-(4-methylphenyl)pyrazole-5-carbonyl]piperidine-4-carboxamide is Cc1ccc(-n2nc(-c3ccccc3Cl)cc2C(=O)N2CCC(C(N)=O)CC2)cc1.
What is the InChIKey of 1-[3-(2-chlorophenyl)-1-(4-methylphenyl)pyrazole-5-carbonyl]piperidine-4-carboxamide?
The InChIKey is WZNWTACDPURPDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN4O2/c1-15-6-8-17(9-7-15)28-21(14-20(26-28)18-4-2-3-5-19(18)24)23(30)27-12-10-16(11-13-27)22(25)29/h2-9,14,16H,10-13H2,1H3,(H2,25,29).
What are the key properties of 1-[3-(2-chlorophenyl)-1-(4-methylphenyl)pyrazole-5-carbonyl]piperidine-4-carboxamide?
1-[3-(2-chlorophenyl)-1-(4-methylphenyl)pyrazole-5-carbonyl]piperidine-4-carboxamide has a molecular weight of 422.92 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-chlorophenyl)-1-(4-methylphenyl)pyrazole-5-carbonyl]piperidine-4-carboxamide is sourced from PubChem (CID 42759343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).