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

C24H25ClN4O4 — CID 42758938

IUPAC1-[1-(3-chlorophenyl)-3-(2,4-dimethoxyphenyl)pyrazole-5-carbonyl]piperidine-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)N3CCC(C(N)=O)CC3)n(-c3cccc(Cl)c3)n2)c(OC)c1
InChIInChI=1S/C24H25ClN4O4/c1-32-18-6-7-19(22(13-18)33-2)20-14-21(29(27-20)17-5-3-4-16(25)12-17)24(31)28-10-8-15(9-11-28)23(26)30/h3-7,12-15H,8-11H2,1-2H3,(H2,26,30)
InChIKeyJECBVDZGJZLOHG-UHFFFAOYSA-N
MW468.94 g/mol
LogP3.55
Rot. Bonds6

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

1-[1-(3-chlorophenyl)-3-(2,4-dimethoxyphenyl)pyrazole-5-carbonyl]piperidine-4-carboxamide (PubChem CID 42758938) has the molecular formula C24H25ClN4O4 and a molecular weight of 468.94 g/mol. Its IUPAC name is 1-[1-(3-chlorophenyl)-3-(2,4-dimethoxyphenyl)pyrazole-5-carbonyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-(3-chlorophenyl)-3-(2,4-dimethoxyphenyl)pyrazole-5-carbonyl]piperidine-4-carboxamide
PubChem CID42758938
Molecular FormulaC24H25ClN4O4
Molecular Weight468.94 g/mol
Exact Mass468.16
IUPAC Name1-[1-(3-chlorophenyl)-3-(2,4-dimethoxyphenyl)pyrazole-5-carbonyl]piperidine-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)N3CCC(C(N)=O)CC3)n(-c3cccc(Cl)c3)n2)c(OC)c1
InChIInChI=1S/C24H25ClN4O4/c1-32-18-6-7-19(22(13-18)33-2)20-14-21(29(27-20)17-5-3-4-16(25)12-17)24(31)28-10-8-15(9-11-28)23(26)30/h3-7,12-15H,8-11H2,1-2H3,(H2,26,30)
InChIKeyJECBVDZGJZLOHG-UHFFFAOYSA-N
XLogP3.55
TPSA99.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.94
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-(2-chlorophenyl)-3-(2,4-dimethoxyphenyl)pyrazole-5-carbonyl]piperidine-4-carboxamide
CID 42759040
[4-(3-chlorophenyl)piperazin-1-yl]-[3-(2,4-dimethoxyphenyl)-1-(3-methylphenyl)pyrazol-5-yl]methanone
CID 4214721
(4-benzylpiperazin-1-yl)-[1-(3-chlorophenyl)-3-(2,4-dimethoxyphenyl)pyrazol-5-yl]methanone
CID 4276918
1-[1-(4-chlorophenyl)-3-(3-methoxyphenyl)pyrazole-5-carbonyl]piperidine-4-carboxamide
CID 4242006
[1-(3,4-dichlorophenyl)-3-(2,4-dimethoxyphenyl)pyrazol-5-yl]-piperidin-1-ylmethanone
CID 42758942
[3-(2-chlorophenyl)-1-(3-chlorophenyl)pyrazol-5-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 42662575
[3-(2,4-dimethoxyphenyl)-1-(4-methoxyphenyl)pyrazol-5-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 3612968
ethyl 1-[1-(4-chlorophenyl)-3-(2,4-dimethoxyphenyl)pyrazole-5-carbonyl]piperidine-3-carboxylate
CID 4016837
1-[3-(2-chlorophenyl)-1-(4-methylphenyl)pyrazole-5-carbonyl]piperidine-4-carboxamide
CID 42759343
ethyl 1-[3-(2,4-dimethoxyphenyl)-1-(2,4-dimethylphenyl)pyrazole-5-carbonyl]piperidine-4-carboxylate
CID 5110814
[1-(3,4-dichlorophenyl)-3-(2,4-dimethoxyphenyl)pyrazol-5-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 42758946
1-[1-(4-methoxyphenyl)-3-(5-methylfuran-2-yl)pyrazole-5-carbonyl]piperidine-4-carboxamide
CID 4032604

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-chlorophenyl)-3-(2,4-dimethoxyphenyl)pyrazole-5-carbonyl]piperidine-4-carboxamide?
The IUPAC name of 1-[1-(3-chlorophenyl)-3-(2,4-dimethoxyphenyl)pyrazole-5-carbonyl]piperidine-4-carboxamide (CID 42758938) is 1-[1-(3-chlorophenyl)-3-(2,4-dimethoxyphenyl)pyrazole-5-carbonyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[1-(3-chlorophenyl)-3-(2,4-dimethoxyphenyl)pyrazole-5-carbonyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[1-(3-chlorophenyl)-3-(2,4-dimethoxyphenyl)pyrazole-5-carbonyl]piperidine-4-carboxamide is COc1ccc(-c2cc(C(=O)N3CCC(C(N)=O)CC3)n(-c3cccc(Cl)c3)n2)c(OC)c1.
What is the InChIKey of 1-[1-(3-chlorophenyl)-3-(2,4-dimethoxyphenyl)pyrazole-5-carbonyl]piperidine-4-carboxamide?
The InChIKey is JECBVDZGJZLOHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN4O4/c1-32-18-6-7-19(22(13-18)33-2)20-14-21(29(27-20)17-5-3-4-16(25)12-17)24(31)28-10-8-15(9-11-28)23(26)30/h3-7,12-15H,8-11H2,1-2H3,(H2,26,30).
What are the key properties of 1-[1-(3-chlorophenyl)-3-(2,4-dimethoxyphenyl)pyrazole-5-carbonyl]piperidine-4-carboxamide?
1-[1-(3-chlorophenyl)-3-(2,4-dimethoxyphenyl)pyrazole-5-carbonyl]piperidine-4-carboxamide has a molecular weight of 468.94 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-chlorophenyl)-3-(2,4-dimethoxyphenyl)pyrazole-5-carbonyl]piperidine-4-carboxamide is sourced from PubChem (CID 42758938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).