4-[(4-ethenylphenyl)sulfonylamino]-N-propan-2-yl-1H-pyrazole-5-carboxamide

C15H18N4O3S — CID 69378966

IUPAC4-[(4-ethenylphenyl)sulfonylamino]-N-propan-2-yl-1H-pyrazole-5-carboxamide
SMILESC=Cc1ccc(S(=O)(=O)Nc2cn[nH]c2C(=O)NC(C)C)cc1
InChIInChI=1S/C15H18N4O3S/c1-4-11-5-7-12(8-6-11)23(21,22)19-13-9-16-18-14(13)15(20)17-10(2)3/h4-10,19H,1H2,2-3H3,(H,16,18)(H,17,20)
InChIKeyQIQDPZIXBWINJH-UHFFFAOYSA-N
MW334.40 g/mol
LogP1.99
Rot. Bonds6

About 4-[(4-ethenylphenyl)sulfonylamino]-N-propan-2-yl-1H-pyrazole-5-carboxamide

4-[(4-ethenylphenyl)sulfonylamino]-N-propan-2-yl-1H-pyrazole-5-carboxamide (PubChem CID 69378966) has the molecular formula C15H18N4O3S and a molecular weight of 334.40 g/mol. Its IUPAC name is 4-[(4-ethenylphenyl)sulfonylamino]-N-propan-2-yl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-[(4-ethenylphenyl)sulfonylamino]-N-propan-2-yl-1H-pyrazole-5-carboxamide
PubChem CID69378966
Molecular FormulaC15H18N4O3S
Molecular Weight334.40 g/mol
Exact Mass334.11
IUPAC Name4-[(4-ethenylphenyl)sulfonylamino]-N-propan-2-yl-1H-pyrazole-5-carboxamide
SMILESC=Cc1ccc(S(=O)(=O)Nc2cn[nH]c2C(=O)NC(C)C)cc1
InChIInChI=1S/C15H18N4O3S/c1-4-11-5-7-12(8-6-11)23(21,22)19-13-9-16-18-14(13)15(20)17-10(2)3/h4-10,19H,1H2,2-3H3,(H,16,18)(H,17,20)
InChIKeyQIQDPZIXBWINJH-UHFFFAOYSA-N
XLogP1.99
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-Benzyl-N-(1H-pyrazol-3-ylmethyl)-2-(toluene-4-sulfonylamino)-benzamide
CID 44328272
1-ethyl-4-{[(4-fluorophenyl)sulfonyl]amino}-N-(2-methylpropyl)-1H-pyrazole-3-carboxamide
CID 19584457
4-Chloro-N-[(1R,5R,7S)-2-(4-methylbenzenesulfonyl)-2-azabicyclo[3.2.0]heptan-7-YL]-1H-pyrazole-3-carboxamide
CID 92558083
4-Bromo-N-[(1R,5R,7S)-2-(4-methylbenzenesulfonyl)-2-azabicyclo[3.2.0]heptan-7-YL]-2H-pyrazole-3-carboxamide
CID 92558084
N-[(1S,5R,6S)-3-(4-methylphenyl)sulfonyl-3-azabicyclo[3.2.0]heptan-6-yl]-1H-pyrazole-5-carboxamide
CID 92558135
4-[(2,6-difluorobenzoyl)amino]-N-[1-[3-(prop-2-enoylamino)phenyl]sulfonylpiperidin-4-yl]-1H-pyrazole-5-carboxamide
CID 147183357
N-[1-[3-[[(E)-4-(dimethylamino)but-2-enoyl]amino]phenyl]sulfonylpiperidin-4-yl]-4-[(2,4,6-trifluorobenzoyl)amino]-1H-pyrazole-5-carboxamide
CID 150622663
4-benzamido-N-[1-[3-(prop-2-enoylamino)phenyl]sulfonylpiperidin-4-yl]-1H-pyrazole-5-carboxamide
CID 150656864
4-[(2,6-difluorobenzoyl)amino]-N-[1-[3-[[(E)-4-(dimethylamino)but-2-enoyl]amino]phenyl]sulfonylpiperidin-4-yl]-1H-pyrazole-5-carboxamide
CID 151033368
4-benzamido-N-[1-[3-[[(E)-4-(dimethylamino)but-2-enoyl]amino]phenyl]sulfonylpiperidin-4-yl]-1H-pyrazole-5-carboxamide
CID 151262391
4-{[3-(1H-pyrazol-5-yl)piperidin-1-yl]carbonyl}benzenesulfonamide
CID 56738390
N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]-1H-pyrazole-5-carboxamide
CID 60474361

Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethenylphenyl)sulfonylamino]-N-propan-2-yl-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-[(4-ethenylphenyl)sulfonylamino]-N-propan-2-yl-1H-pyrazole-5-carboxamide (CID 69378966) is 4-[(4-ethenylphenyl)sulfonylamino]-N-propan-2-yl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-[(4-ethenylphenyl)sulfonylamino]-N-propan-2-yl-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-[(4-ethenylphenyl)sulfonylamino]-N-propan-2-yl-1H-pyrazole-5-carboxamide is C=Cc1ccc(S(=O)(=O)Nc2cn[nH]c2C(=O)NC(C)C)cc1.
What is the InChIKey of 4-[(4-ethenylphenyl)sulfonylamino]-N-propan-2-yl-1H-pyrazole-5-carboxamide?
The InChIKey is QIQDPZIXBWINJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3S/c1-4-11-5-7-12(8-6-11)23(21,22)19-13-9-16-18-14(13)15(20)17-10(2)3/h4-10,19H,1H2,2-3H3,(H,16,18)(H,17,20).
What are the key properties of 4-[(4-ethenylphenyl)sulfonylamino]-N-propan-2-yl-1H-pyrazole-5-carboxamide?
4-[(4-ethenylphenyl)sulfonylamino]-N-propan-2-yl-1H-pyrazole-5-carboxamide has a molecular weight of 334.40 g/mol, XLogP of 1.99, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethenylphenyl)sulfonylamino]-N-propan-2-yl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 69378966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).