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

C21H22N4O — CID 37002386

IUPAC5-cyclopropyl-1-(2-methylphenyl)-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide
SMILESCc1ccccc1-n1ncc(C(=O)NCCc2ccccn2)c1C1CC1
InChIInChI=1S/C21H22N4O/c1-15-6-2-3-8-19(15)25-20(16-9-10-16)18(14-24-25)21(26)23-13-11-17-7-4-5-12-22-17/h2-8,12,14,16H,9-11,13H2,1H3,(H,23,26)
InChIKeyCMMSQWNTHUCKAX-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.43
Rot. Bonds6

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

5-cyclopropyl-1-(2-methylphenyl)-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide (PubChem CID 37002386) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is 5-cyclopropyl-1-(2-methylphenyl)-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-1-(2-methylphenyl)-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide
PubChem CID37002386
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC Name5-cyclopropyl-1-(2-methylphenyl)-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide
SMILESCc1ccccc1-n1ncc(C(=O)NCCc2ccccn2)c1C1CC1
InChIInChI=1S/C21H22N4O/c1-15-6-2-3-8-19(15)25-20(16-9-10-16)18(14-24-25)21(26)23-13-11-17-7-4-5-12-22-17/h2-8,12,14,16H,9-11,13H2,1H3,(H,23,26)
InChIKeyCMMSQWNTHUCKAX-UHFFFAOYSA-N
XLogP3.43
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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-[(4-methylphenyl)methyl]pyrazole-4-carboxamide
CID 36997228
5-cyclopropyl-1-[4-(furan-2-yl)pyrimidin-2-yl]-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide
CID 25326947
5-cyclopropyl-1-[4-(2,5-dimethoxyphenyl)pyrimidin-2-yl]-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide
CID 42480683
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-cyclopropyl-N-[4-(cyclopropylcarbamoyl)phenyl]-1-(2-methylphenyl)pyrazole-4-carboxamide
CID 37032644
5-cyclohexyl-1-(2-methylphenyl)pyrazole-4-carboxylic acid
CID 82361439
4-methoxy-2-[4-(2-methylphenyl)piperazin-1-yl]-N-(2-pyridin-2-ylethyl)pyrimidine-5-carboxamide
CID 42847732
[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

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-(2-methylphenyl)-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide?
The IUPAC name of 5-cyclopropyl-1-(2-methylphenyl)-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide (CID 37002386) is 5-cyclopropyl-1-(2-methylphenyl)-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-cyclopropyl-1-(2-methylphenyl)-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide?
The canonical SMILES for 5-cyclopropyl-1-(2-methylphenyl)-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide is Cc1ccccc1-n1ncc(C(=O)NCCc2ccccn2)c1C1CC1.
What is the InChIKey of 5-cyclopropyl-1-(2-methylphenyl)-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide?
The InChIKey is CMMSQWNTHUCKAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-15-6-2-3-8-19(15)25-20(16-9-10-16)18(14-24-25)21(26)23-13-11-17-7-4-5-12-22-17/h2-8,12,14,16H,9-11,13H2,1H3,(H,23,26).
What are the key properties of 5-cyclopropyl-1-(2-methylphenyl)-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide?
5-cyclopropyl-1-(2-methylphenyl)-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-(2-methylphenyl)-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 37002386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).