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

C21H20ClN3O3 — CID 3968886

IUPAC1-(4-chlorophenyl)-N-cyclopropyl-3-(2,4-dimethoxyphenyl)pyrazole-5-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NC3CC3)n(-c3ccc(Cl)cc3)n2)c(OC)c1
InChIInChI=1S/C21H20ClN3O3/c1-27-16-9-10-17(20(11-16)28-2)18-12-19(21(26)23-14-5-6-14)25(24-18)15-7-3-13(22)4-8-15/h3-4,7-12,14H,5-6H2,1-2H3,(H,23,26)
InChIKeyFUWFAYLARJLZFI-UHFFFAOYSA-N
MW397.86 g/mol
LogP4.10
Rot. Bonds6

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

1-(4-chlorophenyl)-N-cyclopropyl-3-(2,4-dimethoxyphenyl)pyrazole-5-carboxamide (PubChem CID 3968886) has the molecular formula C21H20ClN3O3 and a molecular weight of 397.86 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-cyclopropyl-3-(2,4-dimethoxyphenyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-cyclopropyl-3-(2,4-dimethoxyphenyl)pyrazole-5-carboxamide
PubChem CID3968886
Molecular FormulaC21H20ClN3O3
Molecular Weight397.86 g/mol
Exact Mass397.12
IUPAC Name1-(4-chlorophenyl)-N-cyclopropyl-3-(2,4-dimethoxyphenyl)pyrazole-5-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NC3CC3)n(-c3ccc(Cl)cc3)n2)c(OC)c1
InChIInChI=1S/C21H20ClN3O3/c1-27-16-9-10-17(20(11-16)28-2)18-12-19(21(26)23-14-5-6-14)25(24-18)15-7-3-13(22)4-8-15/h3-4,7-12,14H,5-6H2,1-2H3,(H,23,26)
InChIKeyFUWFAYLARJLZFI-UHFFFAOYSA-N
XLogP4.10
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.86
LogP ≤ 54.10
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-cyclopropyl-3-(2,4-dimethoxyphenyl)-1-(2,4-dimethylphenyl)pyrazole-5-carboxamide
CID 42759053
N-benzyl-1-(4-chlorophenyl)-3-(2,4-dimethoxyphenyl)pyrazole-5-carboxamide
CID 4310437
1-(4-chlorophenyl)-N-cyclopropyl-3-(3,4-dimethylphenyl)pyrazole-5-carboxamide
CID 4025891
ethyl 1-[1-(4-chlorophenyl)-3-(2,4-dimethoxyphenyl)pyrazole-5-carbonyl]piperidine-3-carboxylate
CID 4016837
1-(3-chlorophenyl)-3-(2,4-dimethoxyphenyl)-N-(3-methylbutyl)pyrazole-5-carboxamide
CID 3310251
3-(2,4-dimethoxyphenyl)-N-(3-methoxypropyl)-1-phenylpyrazole-5-carboxamide
CID 3582112
3-(2,4-dimethoxyphenyl)-1-(4-fluorophenyl)-N-pentylpyrazole-5-carboxamide
CID 4679519
[3-(2,4-dimethoxyphenyl)-1-(4-methoxyphenyl)pyrazol-5-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 3612968
3-(2,4-dimethoxyphenyl)-1-phenyl-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide
CID 4679626
N-benzyl-1-(4-chlorophenyl)-3-(2,4-dimethoxyphenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide
CID 42662519
[1-(3,4-dichlorophenyl)-3-(2,4-dimethoxyphenyl)pyrazol-5-yl]-piperidin-1-ylmethanone
CID 42758942

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-cyclopropyl-3-(2,4-dimethoxyphenyl)pyrazole-5-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-cyclopropyl-3-(2,4-dimethoxyphenyl)pyrazole-5-carboxamide (CID 3968886) is 1-(4-chlorophenyl)-N-cyclopropyl-3-(2,4-dimethoxyphenyl)pyrazole-5-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-cyclopropyl-3-(2,4-dimethoxyphenyl)pyrazole-5-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-cyclopropyl-3-(2,4-dimethoxyphenyl)pyrazole-5-carboxamide is COc1ccc(-c2cc(C(=O)NC3CC3)n(-c3ccc(Cl)cc3)n2)c(OC)c1.
What is the InChIKey of 1-(4-chlorophenyl)-N-cyclopropyl-3-(2,4-dimethoxyphenyl)pyrazole-5-carboxamide?
The InChIKey is FUWFAYLARJLZFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O3/c1-27-16-9-10-17(20(11-16)28-2)18-12-19(21(26)23-14-5-6-14)25(24-18)15-7-3-13(22)4-8-15/h3-4,7-12,14H,5-6H2,1-2H3,(H,23,26).
What are the key properties of 1-(4-chlorophenyl)-N-cyclopropyl-3-(2,4-dimethoxyphenyl)pyrazole-5-carboxamide?
1-(4-chlorophenyl)-N-cyclopropyl-3-(2,4-dimethoxyphenyl)pyrazole-5-carboxamide has a molecular weight of 397.86 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-cyclopropyl-3-(2,4-dimethoxyphenyl)pyrazole-5-carboxamide is sourced from PubChem (CID 3968886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).