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

C21H20ClN3O — CID 4025891

IUPAC1-(4-chlorophenyl)-N-cyclopropyl-3-(3,4-dimethylphenyl)pyrazole-5-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NC3CC3)n(-c3ccc(Cl)cc3)n2)cc1C
InChIInChI=1S/C21H20ClN3O/c1-13-3-4-15(11-14(13)2)19-12-20(21(26)23-17-7-8-17)25(24-19)18-9-5-16(22)6-10-18/h3-6,9-12,17H,7-8H2,1-2H3,(H,23,26)
InChIKeyARQMMRWPILABDB-UHFFFAOYSA-N
MW365.86 g/mol
LogP4.70
Rot. Bonds4

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

1-(4-chlorophenyl)-N-cyclopropyl-3-(3,4-dimethylphenyl)pyrazole-5-carboxamide (PubChem CID 4025891) has the molecular formula C21H20ClN3O and a molecular weight of 365.86 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-cyclopropyl-3-(3,4-dimethylphenyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-cyclopropyl-3-(3,4-dimethylphenyl)pyrazole-5-carboxamide
PubChem CID4025891
Molecular FormulaC21H20ClN3O
Molecular Weight365.86 g/mol
Exact Mass365.13
IUPAC Name1-(4-chlorophenyl)-N-cyclopropyl-3-(3,4-dimethylphenyl)pyrazole-5-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NC3CC3)n(-c3ccc(Cl)cc3)n2)cc1C
InChIInChI=1S/C21H20ClN3O/c1-13-3-4-15(11-14(13)2)19-12-20(21(26)23-17-7-8-17)25(24-19)18-9-5-16(22)6-10-18/h3-6,9-12,17H,7-8H2,1-2H3,(H,23,26)
InChIKeyARQMMRWPILABDB-UHFFFAOYSA-N
XLogP4.70
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.86
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-N-cyclopropyl-3-(2,4-dimethoxyphenyl)pyrazole-5-carboxamide
CID 3968886
N-(4-hydroxycyclohexyl)-1,3-diphenylpyrazole-5-carboxamide
CID 9324133
N-cyclohexyl-3-(3,4-dimethylphenyl)-1-(3-nitrophenyl)pyrazole-5-carboxamide
CID 3993041
3-(2-chlorophenyl)-N-cyclohexyl-1-(4-methylphenyl)pyrazole-5-carboxamide
CID 5038891
1-(4-chlorophenyl)-3,5-bis(3,4-dimethylphenyl)pyrazole
CID 19587253
3-(2-chlorophenyl)-N-cyclopropyl-1-(4-fluorophenyl)pyrazole-5-carboxamide
CID 4005097
N-cyclopropyl-3-(2-fluorophenyl)-1-(4-fluorophenyl)pyrazole-5-carboxamide
CID 812037
1-(4-chlorophenyl)-3-(4-fluorophenyl)-N-(2-oxoazepan-3-yl)pyrazole-5-carboxamide
CID 5041512
3-(3,4-dimethylphenyl)-1-phenyl-N-propylpyrazole-5-carboxamide
CID 42754882
1-(4-chlorophenyl)-N-cyclopropyl-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 947337
N-(1-benzylpiperidin-4-yl)-3-(2-chlorophenyl)-1-(4-methylphenyl)pyrazole-5-carboxamide
CID 5036469
N-cyclohexyl-1-(4-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide
CID 3514813

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-cyclopropyl-3-(3,4-dimethylphenyl)pyrazole-5-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-cyclopropyl-3-(3,4-dimethylphenyl)pyrazole-5-carboxamide (CID 4025891) is 1-(4-chlorophenyl)-N-cyclopropyl-3-(3,4-dimethylphenyl)pyrazole-5-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-cyclopropyl-3-(3,4-dimethylphenyl)pyrazole-5-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-cyclopropyl-3-(3,4-dimethylphenyl)pyrazole-5-carboxamide is Cc1ccc(-c2cc(C(=O)NC3CC3)n(-c3ccc(Cl)cc3)n2)cc1C.
What is the InChIKey of 1-(4-chlorophenyl)-N-cyclopropyl-3-(3,4-dimethylphenyl)pyrazole-5-carboxamide?
The InChIKey is ARQMMRWPILABDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O/c1-13-3-4-15(11-14(13)2)19-12-20(21(26)23-17-7-8-17)25(24-19)18-9-5-16(22)6-10-18/h3-6,9-12,17H,7-8H2,1-2H3,(H,23,26).
What are the key properties of 1-(4-chlorophenyl)-N-cyclopropyl-3-(3,4-dimethylphenyl)pyrazole-5-carboxamide?
1-(4-chlorophenyl)-N-cyclopropyl-3-(3,4-dimethylphenyl)pyrazole-5-carboxamide has a molecular weight of 365.86 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-cyclopropyl-3-(3,4-dimethylphenyl)pyrazole-5-carboxamide is sourced from PubChem (CID 4025891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).