N-(cyclopentylmethylsulfonyl)-1-methyl-5-phenylpyrazole-4-carboxamide

C17H21N3O3S — CID 84598693

IUPACN-(cyclopentylmethylsulfonyl)-1-methyl-5-phenylpyrazole-4-carboxamide
SMILESCn1ncc(C(=O)NS(=O)(=O)CC2CCCC2)c1-c1ccccc1
InChIInChI=1S/C17H21N3O3S/c1-20-16(14-9-3-2-4-10-14)15(11-18-20)17(21)19-24(22,23)12-13-7-5-6-8-13/h2-4,9-11,13H,5-8,12H2,1H3,(H,19,21)
InChIKeyVWLDHNBVHGLIDF-UHFFFAOYSA-N
MW347.44 g/mol
LogP2.34
Rot. Bonds5

About N-(cyclopentylmethylsulfonyl)-1-methyl-5-phenylpyrazole-4-carboxamide

N-(cyclopentylmethylsulfonyl)-1-methyl-5-phenylpyrazole-4-carboxamide (PubChem CID 84598693) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is N-(cyclopentylmethylsulfonyl)-1-methyl-5-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(cyclopentylmethylsulfonyl)-1-methyl-5-phenylpyrazole-4-carboxamide
PubChem CID84598693
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC NameN-(cyclopentylmethylsulfonyl)-1-methyl-5-phenylpyrazole-4-carboxamide
SMILESCn1ncc(C(=O)NS(=O)(=O)CC2CCCC2)c1-c1ccccc1
InChIInChI=1S/C17H21N3O3S/c1-20-16(14-9-3-2-4-10-14)15(11-18-20)17(21)19-24(22,23)12-13-7-5-6-8-13/h2-4,9-11,13H,5-8,12H2,1H3,(H,19,21)
InChIKeyVWLDHNBVHGLIDF-UHFFFAOYSA-N
XLogP2.34
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(1-methyl-5-phenylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 120524602
2,2-dimethyl-3-[(1-methyl-5-phenylpyrazole-4-carbonyl)amino]propanoic acid
CID 120528001
1-[(2R)-butan-2-yl]-N-(cyclobutylmethylsulfonyl)-5-cyclopropylpyrazole-4-carboxamide
CID 97101008
2-bromo-N-(cyclopropylmethylsulfonyl)benzamide
CID 129188643
N-[4-(diethylamino)phenyl]-1-methyl-5-phenylpyrazole-4-carboxamide
CID 155551859
N-(3-hydroxy-2-pyridinyl)-1-methyl-5-phenylpyrazole-4-carboxamide
CID 86787813
4-methyl-2-[[(1-methyl-5-phenylpyrazole-4-carbonyl)amino]methyl]pentanoic acid
CID 120528638
(3S)-1-(1-methyl-5-phenylpyrazole-4-carbonyl)piperidine-3-carboxylic acid
CID 120514251
3-[methyl-(1-methyl-5-phenylpyrazole-4-carbonyl)amino]propanoic acid
CID 120525069
N-(1-methyl-5-phenylpyrazol-4-yl)cyclobutanecarboxamide
CID 110664769
N-(3,4-dihydro-2H-chromen-8-yl)-1-methyl-5-phenylpyrazole-4-carboxamide
CID 167848351
1-(1-methyl-5-phenylpyrazole-4-carbonyl)piperidine-3-carboxamide
CID 146086934

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethylsulfonyl)-1-methyl-5-phenylpyrazole-4-carboxamide?
The IUPAC name of N-(cyclopentylmethylsulfonyl)-1-methyl-5-phenylpyrazole-4-carboxamide (CID 84598693) is N-(cyclopentylmethylsulfonyl)-1-methyl-5-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-(cyclopentylmethylsulfonyl)-1-methyl-5-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-(cyclopentylmethylsulfonyl)-1-methyl-5-phenylpyrazole-4-carboxamide is Cn1ncc(C(=O)NS(=O)(=O)CC2CCCC2)c1-c1ccccc1.
What is the InChIKey of N-(cyclopentylmethylsulfonyl)-1-methyl-5-phenylpyrazole-4-carboxamide?
The InChIKey is VWLDHNBVHGLIDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-20-16(14-9-3-2-4-10-14)15(11-18-20)17(21)19-24(22,23)12-13-7-5-6-8-13/h2-4,9-11,13H,5-8,12H2,1H3,(H,19,21).
What are the key properties of N-(cyclopentylmethylsulfonyl)-1-methyl-5-phenylpyrazole-4-carboxamide?
N-(cyclopentylmethylsulfonyl)-1-methyl-5-phenylpyrazole-4-carboxamide has a molecular weight of 347.44 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethylsulfonyl)-1-methyl-5-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 84598693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).