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

C23H23ClN4O3 — CID 4242006

IUPAC1-[1-(4-chlorophenyl)-3-(3-methoxyphenyl)pyrazole-5-carbonyl]piperidine-4-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)N3CCC(C(N)=O)CC3)n(-c3ccc(Cl)cc3)n2)c1
InChIInChI=1S/C23H23ClN4O3/c1-31-19-4-2-3-16(13-19)20-14-21(28(26-20)18-7-5-17(24)6-8-18)23(30)27-11-9-15(10-12-27)22(25)29/h2-8,13-15H,9-12H2,1H3,(H2,25,29)
InChIKeyVIDRWAGIJVVQMS-UHFFFAOYSA-N
MW438.92 g/mol
LogP3.54
Rot. Bonds5

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

1-[1-(4-chlorophenyl)-3-(3-methoxyphenyl)pyrazole-5-carbonyl]piperidine-4-carboxamide (PubChem CID 4242006) has the molecular formula C23H23ClN4O3 and a molecular weight of 438.92 g/mol. Its IUPAC name is 1-[1-(4-chlorophenyl)-3-(3-methoxyphenyl)pyrazole-5-carbonyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-(4-chlorophenyl)-3-(3-methoxyphenyl)pyrazole-5-carbonyl]piperidine-4-carboxamide
PubChem CID4242006
Molecular FormulaC23H23ClN4O3
Molecular Weight438.92 g/mol
Exact Mass438.15
IUPAC Name1-[1-(4-chlorophenyl)-3-(3-methoxyphenyl)pyrazole-5-carbonyl]piperidine-4-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)N3CCC(C(N)=O)CC3)n(-c3ccc(Cl)cc3)n2)c1
InChIInChI=1S/C23H23ClN4O3/c1-31-19-4-2-3-16(13-19)20-14-21(28(26-20)18-7-5-17(24)6-8-18)23(30)27-11-9-15(10-12-27)22(25)29/h2-8,13-15H,9-12H2,1H3,(H2,25,29)
InChIKeyVIDRWAGIJVVQMS-UHFFFAOYSA-N
XLogP3.54
TPSA90.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.92
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(4-chlorophenyl)-3-(3-methoxyphenyl)pyrazol-5-yl]-morpholin-4-ylmethanone
CID 5167647
ethyl 1-[3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazole-5-carbonyl]piperidine-4-carboxylate
CID 42755460
1-[1-(3-chlorophenyl)-3-(2,4-dimethoxyphenyl)pyrazole-5-carbonyl]piperidine-4-carboxamide
CID 42758938
[4-(3-chlorophenyl)piperazin-1-yl]-[3-(3-methoxyphenyl)-1-phenylpyrazol-5-yl]methanone
CID 4001728
1-[1-(4-methoxyphenyl)-3-(5-methylfuran-2-yl)pyrazole-5-carbonyl]piperidine-4-carboxamide
CID 4032604
[1-(3,4-dichlorophenyl)-3-(3-methoxyphenyl)pyrazol-5-yl]-(4-ethylpiperazin-1-yl)methanone
CID 5097237
[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[1-(4-chlorophenyl)-3-(3-methoxyphenyl)pyrazol-5-yl]methanone
CID 3503618
1-[3-(2-chlorophenyl)-1-(4-methylphenyl)pyrazole-5-carbonyl]piperidine-4-carboxamide
CID 42759343
[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]-pyrrolidin-1-ylmethanone
CID 812015
(4-benzylpiperazin-1-yl)-[3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazol-5-yl]methanone
CID 42755463
ethyl 4-[3-(3-methoxyphenyl)-1-(4-nitrophenyl)pyrazole-5-carbonyl]piperazine-1-carboxylate
CID 4642190
1-[1-(2-chlorophenyl)-3-(2,4-dimethoxyphenyl)pyrazole-5-carbonyl]piperidine-4-carboxamide
CID 42759040

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chlorophenyl)-3-(3-methoxyphenyl)pyrazole-5-carbonyl]piperidine-4-carboxamide?
The IUPAC name of 1-[1-(4-chlorophenyl)-3-(3-methoxyphenyl)pyrazole-5-carbonyl]piperidine-4-carboxamide (CID 4242006) is 1-[1-(4-chlorophenyl)-3-(3-methoxyphenyl)pyrazole-5-carbonyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[1-(4-chlorophenyl)-3-(3-methoxyphenyl)pyrazole-5-carbonyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[1-(4-chlorophenyl)-3-(3-methoxyphenyl)pyrazole-5-carbonyl]piperidine-4-carboxamide is COc1cccc(-c2cc(C(=O)N3CCC(C(N)=O)CC3)n(-c3ccc(Cl)cc3)n2)c1.
What is the InChIKey of 1-[1-(4-chlorophenyl)-3-(3-methoxyphenyl)pyrazole-5-carbonyl]piperidine-4-carboxamide?
The InChIKey is VIDRWAGIJVVQMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN4O3/c1-31-19-4-2-3-16(13-19)20-14-21(28(26-20)18-7-5-17(24)6-8-18)23(30)27-11-9-15(10-12-27)22(25)29/h2-8,13-15H,9-12H2,1H3,(H2,25,29).
What are the key properties of 1-[1-(4-chlorophenyl)-3-(3-methoxyphenyl)pyrazole-5-carbonyl]piperidine-4-carboxamide?
1-[1-(4-chlorophenyl)-3-(3-methoxyphenyl)pyrazole-5-carbonyl]piperidine-4-carboxamide has a molecular weight of 438.92 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chlorophenyl)-3-(3-methoxyphenyl)pyrazole-5-carbonyl]piperidine-4-carboxamide is sourced from PubChem (CID 4242006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).