1-(3-chlorophenyl)-3-(2,4-dimethoxyphenyl)-N-(3-methylbutyl)pyrazole-5-carboxamide

C23H26ClN3O3 — CID 3310251

IUPAC1-(3-chlorophenyl)-3-(2,4-dimethoxyphenyl)-N-(3-methylbutyl)pyrazole-5-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCCC(C)C)n(-c3cccc(Cl)c3)n2)c(OC)c1
InChIInChI=1S/C23H26ClN3O3/c1-15(2)10-11-25-23(28)21-14-20(19-9-8-18(29-3)13-22(19)30-4)26-27(21)17-7-5-6-16(24)12-17/h5-9,12-15H,10-11H2,1-4H3,(H,25,28)
InChIKeyPVESUQKHNZGNFB-UHFFFAOYSA-N
MW427.93 g/mol
LogP4.99
Rot. Bonds8

About 1-(3-chlorophenyl)-3-(2,4-dimethoxyphenyl)-N-(3-methylbutyl)pyrazole-5-carboxamide

1-(3-chlorophenyl)-3-(2,4-dimethoxyphenyl)-N-(3-methylbutyl)pyrazole-5-carboxamide (PubChem CID 3310251) has the molecular formula C23H26ClN3O3 and a molecular weight of 427.93 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-(2,4-dimethoxyphenyl)-N-(3-methylbutyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-(2,4-dimethoxyphenyl)-N-(3-methylbutyl)pyrazole-5-carboxamide
PubChem CID3310251
Molecular FormulaC23H26ClN3O3
Molecular Weight427.93 g/mol
Exact Mass427.17
IUPAC Name1-(3-chlorophenyl)-3-(2,4-dimethoxyphenyl)-N-(3-methylbutyl)pyrazole-5-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCCC(C)C)n(-c3cccc(Cl)c3)n2)c(OC)c1
InChIInChI=1S/C23H26ClN3O3/c1-15(2)10-11-25-23(28)21-14-20(19-9-8-18(29-3)13-22(19)30-4)26-27(21)17-7-5-6-16(24)12-17/h5-9,12-15H,10-11H2,1-4H3,(H,25,28)
InChIKeyPVESUQKHNZGNFB-UHFFFAOYSA-N
XLogP4.99
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.93
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-chlorophenyl)-3-(2,4-dimethoxyphenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide
CID 5028936
N-butyl-3-(2,4-dimethoxyphenyl)-1-(3-methylphenyl)pyrazole-5-carboxamide
CID 42662540
3-(2,4-dimethoxyphenyl)-N-(3-methoxypropyl)-1-phenylpyrazole-5-carboxamide
CID 3582112
3-(2,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-phenylpyrazole-5-carboxamide
CID 3541559
N-benzyl-1-(4-chlorophenyl)-3-(2,4-dimethoxyphenyl)pyrazole-5-carboxamide
CID 4310437
3-(2,4-dimethoxyphenyl)-1-phenyl-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide
CID 4679626
3-(2,4-dimethoxyphenyl)-1-phenyl-N-(4-phenylbutan-2-yl)pyrazole-5-carboxamide
CID 4262770
3-(2,4-dimethoxyphenyl)-1-(4-fluorophenyl)-N-pentylpyrazole-5-carboxamide
CID 4679519
(4-benzylpiperazin-1-yl)-[1-(3-chlorophenyl)-3-(2,4-dimethoxyphenyl)pyrazol-5-yl]methanone
CID 4276918
1-(4-chlorophenyl)-N-cyclopropyl-3-(2,4-dimethoxyphenyl)pyrazole-5-carboxamide
CID 3968886
1-[1-(3-chlorophenyl)-3-(2,4-dimethoxyphenyl)pyrazole-5-carbonyl]piperidine-4-carboxamide
CID 42758938
[4-(3-chlorophenyl)piperazin-1-yl]-[3-(2,4-dimethoxyphenyl)-1-(3-methylphenyl)pyrazol-5-yl]methanone
CID 4214721

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-(2,4-dimethoxyphenyl)-N-(3-methylbutyl)pyrazole-5-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-3-(2,4-dimethoxyphenyl)-N-(3-methylbutyl)pyrazole-5-carboxamide (CID 3310251) is 1-(3-chlorophenyl)-3-(2,4-dimethoxyphenyl)-N-(3-methylbutyl)pyrazole-5-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-3-(2,4-dimethoxyphenyl)-N-(3-methylbutyl)pyrazole-5-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-3-(2,4-dimethoxyphenyl)-N-(3-methylbutyl)pyrazole-5-carboxamide is COc1ccc(-c2cc(C(=O)NCCC(C)C)n(-c3cccc(Cl)c3)n2)c(OC)c1.
What is the InChIKey of 1-(3-chlorophenyl)-3-(2,4-dimethoxyphenyl)-N-(3-methylbutyl)pyrazole-5-carboxamide?
The InChIKey is PVESUQKHNZGNFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN3O3/c1-15(2)10-11-25-23(28)21-14-20(19-9-8-18(29-3)13-22(19)30-4)26-27(21)17-7-5-6-16(24)12-17/h5-9,12-15H,10-11H2,1-4H3,(H,25,28).
What are the key properties of 1-(3-chlorophenyl)-3-(2,4-dimethoxyphenyl)-N-(3-methylbutyl)pyrazole-5-carboxamide?
1-(3-chlorophenyl)-3-(2,4-dimethoxyphenyl)-N-(3-methylbutyl)pyrazole-5-carboxamide has a molecular weight of 427.93 g/mol, XLogP of 4.99, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-(2,4-dimethoxyphenyl)-N-(3-methylbutyl)pyrazole-5-carboxamide is sourced from PubChem (CID 3310251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).