2-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazole-3-carboxamide

C15H18N4O3S — CID 6467947

IUPAC2-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazole-3-carboxamide
SMILESCn1nccc1C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C15H18N4O3S/c1-18-14(8-9-16-18)15(20)17-12-4-6-13(7-5-12)23(21,22)19-10-2-3-11-19/h4-9H,2-3,10-11H2,1H3,(H,17,20)
InChIKeyWJNVHVZDYBSPMO-UHFFFAOYSA-N
MW334.40 g/mol
LogP1.46
Rot. Bonds4

About 2-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazole-3-carboxamide

2-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazole-3-carboxamide (PubChem CID 6467947) has the molecular formula C15H18N4O3S and a molecular weight of 334.40 g/mol. Its IUPAC name is 2-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazole-3-carboxamide
PubChem CID6467947
Molecular FormulaC15H18N4O3S
Molecular Weight334.40 g/mol
Exact Mass334.11
IUPAC Name2-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazole-3-carboxamide
SMILESCn1nccc1C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C15H18N4O3S/c1-18-14(8-9-16-18)15(20)17-12-4-6-13(7-5-12)23(21,22)19-10-2-3-11-19/h4-9H,2-3,10-11H2,1H3,(H,17,20)
InChIKeyWJNVHVZDYBSPMO-UHFFFAOYSA-N
XLogP1.46
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-Methyl-N-[4-(piperidine-1-sulfonyl)phenyl]-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 16122506
4-(2-oxopyrrolidin-1-yl)-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)benzenesulfonamide
CID 3164045
N-(4-acetamidophenyl)-2-methylpyrazole-3-carboxamide
CID 747516
1-ethyl-5-methyl-N-[4-(pyrrolidin-1-ylsulfonyl)phenyl]-1H-pyrazole-4-carboxamide
CID 1013698
N-{4-[acetyl(methyl)amino]phenyl}-1-ethyl-1H-pyrazole-3-carboxamide
CID 3238912
N-[4-({methyl[(1-methyl-1H-pyrazol-4-yl)methyl]amino}sulfonyl)phenyl]acetamide
CID 4318633
1-ethyl-N-[2-(methylsulfanyl)phenyl]-1H-pyrazole-3-carboxamide
CID 5215341
1-methyl-N-[4-(pyrrolidin-1-ylsulfonyl)phenyl]-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 4397834
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 24895441
1-[4-(3-Methylpyrazol-1-yl)sulfonylphenyl]pyrrolidin-2-one
CID 785582
N-{4-[(ethylamino)sulfonyl]phenyl}-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 3243581
1-ethyl-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 24895239

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazole-3-carboxamide?
The IUPAC name of 2-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazole-3-carboxamide (CID 6467947) is 2-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazole-3-carboxamide.
What is the SMILES notation for 2-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazole-3-carboxamide?
The canonical SMILES for 2-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazole-3-carboxamide is Cn1nccc1C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of 2-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazole-3-carboxamide?
The InChIKey is WJNVHVZDYBSPMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3S/c1-18-14(8-9-16-18)15(20)17-12-4-6-13(7-5-12)23(21,22)19-10-2-3-11-19/h4-9H,2-3,10-11H2,1H3,(H,17,20).
What are the key properties of 2-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazole-3-carboxamide?
2-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazole-3-carboxamide has a molecular weight of 334.40 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 6467947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).