N-(2-chlorophenyl)-5-cyclopropyl-1-(2-methylphenyl)pyrazole-4-carboxamide

C20H18ClN3O — CID 46596720

IUPACN-(2-chlorophenyl)-5-cyclopropyl-1-(2-methylphenyl)pyrazole-4-carboxamide
SMILESCc1ccccc1-n1ncc(C(=O)Nc2ccccc2Cl)c1C1CC1
InChIInChI=1S/C20H18ClN3O/c1-13-6-2-5-9-18(13)24-19(14-10-11-14)15(12-22-24)20(25)23-17-8-4-3-7-16(17)21/h2-9,12,14H,10-11H2,1H3,(H,23,25)
InChIKeyKJKSWMKTZCRRHR-UHFFFAOYSA-N
MW351.84 g/mol
LogP4.96
Rot. Bonds4

About N-(2-chlorophenyl)-5-cyclopropyl-1-(2-methylphenyl)pyrazole-4-carboxamide

N-(2-chlorophenyl)-5-cyclopropyl-1-(2-methylphenyl)pyrazole-4-carboxamide (PubChem CID 46596720) has the molecular formula C20H18ClN3O and a molecular weight of 351.84 g/mol. Its IUPAC name is N-(2-chlorophenyl)-5-cyclopropyl-1-(2-methylphenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-5-cyclopropyl-1-(2-methylphenyl)pyrazole-4-carboxamide
PubChem CID46596720
Molecular FormulaC20H18ClN3O
Molecular Weight351.84 g/mol
Exact Mass351.11
IUPAC NameN-(2-chlorophenyl)-5-cyclopropyl-1-(2-methylphenyl)pyrazole-4-carboxamide
SMILESCc1ccccc1-n1ncc(C(=O)Nc2ccccc2Cl)c1C1CC1
InChIInChI=1S/C20H18ClN3O/c1-13-6-2-5-9-18(13)24-19(14-10-11-14)15(12-22-24)20(25)23-17-8-4-3-7-16(17)21/h2-9,12,14H,10-11H2,1H3,(H,23,25)
InChIKeyKJKSWMKTZCRRHR-UHFFFAOYSA-N
XLogP4.96
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.84
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-cyclopropyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(2-methylphenyl)pyrazole-4-carboxamide
CID 37022037
5-cyclopropyl-1-(2-methylphenyl)-N-(4-methyl-1,3-thiazol-2-yl)pyrazole-4-carboxamide
CID 37022263
[5-cyclopropyl-1-(2-methylphenyl)pyrazol-4-yl]-pyrrolidin-1-ylmethanone
CID 36993627
5-cyclopropyl-N-[4-(cyclopropylcarbamoyl)phenyl]-1-(2-methylphenyl)pyrazole-4-carboxamide
CID 37032644
[5-cyclopropyl-1-(2-methylphenyl)pyrazol-4-yl]-piperidin-1-ylmethanone
CID 36978780
N-(3-acetamidopropyl)-5-cyclopropyl-1-(2-methylphenyl)pyrazole-4-carboxamide
CID 37175638
5-cyclopropyl-1-(2-methylphenyl)-N-[(4-methylphenyl)methyl]pyrazole-4-carboxamide
CID 36997228
5-cyclohexyl-1-(2-methylphenyl)pyrazole-4-carboxylic acid
CID 82361439
5-methyl-1-(2-methylphenyl)-N-(2,4,5-trichlorophenyl)pyrazole-4-carboxamide
CID 55607208
5-cyclopropyl-1-(2-methylphenyl)-N-(2-phenoxyethyl)pyrazole-4-carboxamide
CID 37352740
5-cyclopropyl-1-(2-methylphenyl)-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide
CID 37002386
N-(3-chloro-2-methylphenyl)-1-(3,4-dimethylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20923962

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-5-cyclopropyl-1-(2-methylphenyl)pyrazole-4-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-5-cyclopropyl-1-(2-methylphenyl)pyrazole-4-carboxamide (CID 46596720) is N-(2-chlorophenyl)-5-cyclopropyl-1-(2-methylphenyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-5-cyclopropyl-1-(2-methylphenyl)pyrazole-4-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-5-cyclopropyl-1-(2-methylphenyl)pyrazole-4-carboxamide is Cc1ccccc1-n1ncc(C(=O)Nc2ccccc2Cl)c1C1CC1.
What is the InChIKey of N-(2-chlorophenyl)-5-cyclopropyl-1-(2-methylphenyl)pyrazole-4-carboxamide?
The InChIKey is KJKSWMKTZCRRHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O/c1-13-6-2-5-9-18(13)24-19(14-10-11-14)15(12-22-24)20(25)23-17-8-4-3-7-16(17)21/h2-9,12,14H,10-11H2,1H3,(H,23,25).
What are the key properties of N-(2-chlorophenyl)-5-cyclopropyl-1-(2-methylphenyl)pyrazole-4-carboxamide?
N-(2-chlorophenyl)-5-cyclopropyl-1-(2-methylphenyl)pyrazole-4-carboxamide has a molecular weight of 351.84 g/mol, XLogP of 4.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-5-cyclopropyl-1-(2-methylphenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 46596720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).