5-cyclopropyl-1-(2-methylphenyl)-N-[(4-methylphenyl)methyl]pyrazole-4-carboxamide

C22H23N3O — CID 36997228

IUPAC5-cyclopropyl-1-(2-methylphenyl)-N-[(4-methylphenyl)methyl]pyrazole-4-carboxamide
SMILESCc1ccc(CNC(=O)c2cnn(-c3ccccc3C)c2C2CC2)cc1
InChIInChI=1S/C22H23N3O/c1-15-7-9-17(10-8-15)13-23-22(26)19-14-24-25(21(19)18-11-12-18)20-6-4-3-5-16(20)2/h3-10,14,18H,11-13H2,1-2H3,(H,23,26)
InChIKeyQIQPEKGZTKOCAR-UHFFFAOYSA-N
MW345.45 g/mol
LogP4.30
Rot. Bonds5

About 5-cyclopropyl-1-(2-methylphenyl)-N-[(4-methylphenyl)methyl]pyrazole-4-carboxamide

5-cyclopropyl-1-(2-methylphenyl)-N-[(4-methylphenyl)methyl]pyrazole-4-carboxamide (PubChem CID 36997228) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is 5-cyclopropyl-1-(2-methylphenyl)-N-[(4-methylphenyl)methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-1-(2-methylphenyl)-N-[(4-methylphenyl)methyl]pyrazole-4-carboxamide
PubChem CID36997228
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC Name5-cyclopropyl-1-(2-methylphenyl)-N-[(4-methylphenyl)methyl]pyrazole-4-carboxamide
SMILESCc1ccc(CNC(=O)c2cnn(-c3ccccc3C)c2C2CC2)cc1
InChIInChI=1S/C22H23N3O/c1-15-7-9-17(10-8-15)13-23-22(26)19-14-24-25(21(19)18-11-12-18)20-6-4-3-5-16(20)2/h3-10,14,18H,11-13H2,1-2H3,(H,23,26)
InChIKeyQIQPEKGZTKOCAR-UHFFFAOYSA-N
XLogP4.30
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-acetamidopropyl)-5-cyclopropyl-1-(2-methylphenyl)pyrazole-4-carboxamide
CID 37175638
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
5-cyclopropyl-N-[(2-hydroxy-5-nitrophenyl)methyl]-1-(2-methylphenyl)pyrazole-4-carboxamide
CID 46596652
N-(2-chlorophenyl)-5-cyclopropyl-1-(2-methylphenyl)pyrazole-4-carboxamide
CID 46596720
[5-cyclopropyl-1-(2-methylphenyl)pyrazol-4-yl]-pyrrolidin-1-ylmethanone
CID 36993627
5-cyclohexyl-1-(2-methylphenyl)pyrazole-4-carboxylic acid
CID 82361439
[5-cyclopropyl-1-(2-methylphenyl)pyrazol-4-yl]-piperidin-1-ylmethanone
CID 36978780
5-cyclopropyl-1-(2-methylphenyl)-N-(4-methyl-1,3-thiazol-2-yl)pyrazole-4-carboxamide
CID 37022263
5-cyclopropyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(2-methylphenyl)pyrazole-4-carboxamide
CID 37022037
5-cyclopropyl-N-(naphthalen-2-ylmethyl)-1-phenylpyrazole-4-carboxamide
CID 112816283
5-cyclopropyl-N-[4-(cyclopropylcarbamoyl)phenyl]-1-(2-methylphenyl)pyrazole-4-carboxamide
CID 37032644

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-(2-methylphenyl)-N-[(4-methylphenyl)methyl]pyrazole-4-carboxamide?
The IUPAC name of 5-cyclopropyl-1-(2-methylphenyl)-N-[(4-methylphenyl)methyl]pyrazole-4-carboxamide (CID 36997228) is 5-cyclopropyl-1-(2-methylphenyl)-N-[(4-methylphenyl)methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 5-cyclopropyl-1-(2-methylphenyl)-N-[(4-methylphenyl)methyl]pyrazole-4-carboxamide?
The canonical SMILES for 5-cyclopropyl-1-(2-methylphenyl)-N-[(4-methylphenyl)methyl]pyrazole-4-carboxamide is Cc1ccc(CNC(=O)c2cnn(-c3ccccc3C)c2C2CC2)cc1.
What is the InChIKey of 5-cyclopropyl-1-(2-methylphenyl)-N-[(4-methylphenyl)methyl]pyrazole-4-carboxamide?
The InChIKey is QIQPEKGZTKOCAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O/c1-15-7-9-17(10-8-15)13-23-22(26)19-14-24-25(21(19)18-11-12-18)20-6-4-3-5-16(20)2/h3-10,14,18H,11-13H2,1-2H3,(H,23,26).
What are the key properties of 5-cyclopropyl-1-(2-methylphenyl)-N-[(4-methylphenyl)methyl]pyrazole-4-carboxamide?
5-cyclopropyl-1-(2-methylphenyl)-N-[(4-methylphenyl)methyl]pyrazole-4-carboxamide has a molecular weight of 345.45 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-(2-methylphenyl)-N-[(4-methylphenyl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 36997228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).