1-cyclopentyl-5-methyl-N-(2-methylsulfonyl-1-phenylethyl)pyrazole-4-carboxamide

C19H25N3O3S — CID 126795413

IUPAC1-cyclopentyl-5-methyl-N-(2-methylsulfonyl-1-phenylethyl)pyrazole-4-carboxamide
SMILESCc1c(C(=O)NC(CS(C)(=O)=O)c2ccccc2)cnn1C1CCCC1
InChIInChI=1S/C19H25N3O3S/c1-14-17(12-20-22(14)16-10-6-7-11-16)19(23)21-18(13-26(2,24)25)15-8-4-3-5-9-15/h3-5,8-9,12,16,18H,6-7,10-11,13H2,1-2H3,(H,21,23)
InChIKeyCKBPUCIBMWQGRQ-UHFFFAOYSA-N
MW375.49 g/mol
LogP2.82
Rot. Bonds6

About 1-cyclopentyl-5-methyl-N-(2-methylsulfonyl-1-phenylethyl)pyrazole-4-carboxamide

1-cyclopentyl-5-methyl-N-(2-methylsulfonyl-1-phenylethyl)pyrazole-4-carboxamide (PubChem CID 126795413) has the molecular formula C19H25N3O3S and a molecular weight of 375.49 g/mol. Its IUPAC name is 1-cyclopentyl-5-methyl-N-(2-methylsulfonyl-1-phenylethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-cyclopentyl-5-methyl-N-(2-methylsulfonyl-1-phenylethyl)pyrazole-4-carboxamide
PubChem CID126795413
Molecular FormulaC19H25N3O3S
Molecular Weight375.49 g/mol
Exact Mass375.16
IUPAC Name1-cyclopentyl-5-methyl-N-(2-methylsulfonyl-1-phenylethyl)pyrazole-4-carboxamide
SMILESCc1c(C(=O)NC(CS(C)(=O)=O)c2ccccc2)cnn1C1CCCC1
InChIInChI=1S/C19H25N3O3S/c1-14-17(12-20-22(14)16-10-6-7-11-16)19(23)21-18(13-26(2,24)25)15-8-4-3-5-9-15/h3-5,8-9,12,16,18H,6-7,10-11,13H2,1-2H3,(H,21,23)
InChIKeyCKBPUCIBMWQGRQ-UHFFFAOYSA-N
XLogP2.82
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclopentyl-N-(1-cyclopentylethyl)-5-methylpyrazole-4-carboxamide
CID 126786160
(3S)-3-(4-chlorophenyl)-3-[[5-methyl-1-(oxan-4-yl)pyrazole-4-carbonyl]amino]propanoic acid
CID 120531556
N-(2-chloro-1-phenylethyl)-1,5-dimethylpyrazole-4-carboxamide
CID 114300138
1-cyclopentyl-N-hept-6-en-2-yl-5-methylpyrazole-4-carboxamide
CID 166199642
2-(1-cyclopentyl-5-methylpyrazol-4-yl)acetic acid
CID 83883737
N-(2-hydroxy-1-phenylethyl)-5-methyl-1-pentan-3-ylpyrazole-4-carboxamide
CID 110001403
N-[(1R)-2-(dimethylamino)-1-phenylethyl]-5-methyl-1-phenylpyrazole-4-carboxamide
CID 34464052
ethyl 1-cyclohexyl-5-methylpyrazole-4-carboxylate
CID 58861401
1-cyclopentyl-N-[(1S)-2,2-difluoro-1-(3-fluoro-4-methoxyphenyl)ethyl]-5-methylpyrazole-4-carboxamide
CID 124733342
2-[(1-cyclopentyl-5-phenylpyrazole-4-carbonyl)amino]-3-methoxypropanoic acid
CID 122108945
1-cyclopentyl-N-[(5,5-dimethyloxolan-2-yl)methyl]-5-methylpyrazole-4-carboxamide
CID 126793407
1-cyclopentyl-N-[[2-[(3-hydroxypyrrolidin-1-yl)methyl]phenyl]methyl]-5-methylpyrazole-4-carboxamide
CID 126768124

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-5-methyl-N-(2-methylsulfonyl-1-phenylethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-cyclopentyl-5-methyl-N-(2-methylsulfonyl-1-phenylethyl)pyrazole-4-carboxamide (CID 126795413) is 1-cyclopentyl-5-methyl-N-(2-methylsulfonyl-1-phenylethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-cyclopentyl-5-methyl-N-(2-methylsulfonyl-1-phenylethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-cyclopentyl-5-methyl-N-(2-methylsulfonyl-1-phenylethyl)pyrazole-4-carboxamide is Cc1c(C(=O)NC(CS(C)(=O)=O)c2ccccc2)cnn1C1CCCC1.
What is the InChIKey of 1-cyclopentyl-5-methyl-N-(2-methylsulfonyl-1-phenylethyl)pyrazole-4-carboxamide?
The InChIKey is CKBPUCIBMWQGRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S/c1-14-17(12-20-22(14)16-10-6-7-11-16)19(23)21-18(13-26(2,24)25)15-8-4-3-5-9-15/h3-5,8-9,12,16,18H,6-7,10-11,13H2,1-2H3,(H,21,23).
What are the key properties of 1-cyclopentyl-5-methyl-N-(2-methylsulfonyl-1-phenylethyl)pyrazole-4-carboxamide?
1-cyclopentyl-5-methyl-N-(2-methylsulfonyl-1-phenylethyl)pyrazole-4-carboxamide has a molecular weight of 375.49 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-5-methyl-N-(2-methylsulfonyl-1-phenylethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 126795413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).