N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]ethanesulfonamide

C13H17N3O2S — CID 19582228

IUPACN-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cnn(Cc2cccc(C)c2)c1
InChIInChI=1S/C13H17N3O2S/c1-3-19(17,18)15-13-8-14-16(10-13)9-12-6-4-5-11(2)7-12/h4-8,10,15H,3,9H2,1-2H3
InChIKeyBWKMMJXCZLZNOJ-UHFFFAOYSA-N
MW279.37 g/mol
LogP2.00
Rot. Bonds5

About N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]ethanesulfonamide

N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]ethanesulfonamide (PubChem CID 19582228) has the molecular formula C13H17N3O2S and a molecular weight of 279.37 g/mol. Its IUPAC name is N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]ethanesulfonamide
PubChem CID19582228
Molecular FormulaC13H17N3O2S
Molecular Weight279.37 g/mol
Exact Mass279.10
IUPAC NameN-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cnn(Cc2cccc(C)c2)c1
InChIInChI=1S/C13H17N3O2S/c1-3-19(17,18)15-13-8-14-16(10-13)9-12-6-4-5-11(2)7-12/h4-8,10,15H,3,9H2,1-2H3
InChIKeyBWKMMJXCZLZNOJ-UHFFFAOYSA-N
XLogP2.00
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-Fluoro-benzyl)-1H-pyrazol-4-ylamine
CID 4362222
1-benzyl-1H-pyrazol-4-amine
CID 206694
1-ethyl-N-[2-(trifluoromethyl)phenyl]-1H-pyrazole-4-sulfonamide
CID 1510182
1-ethyl-N-(5-fluoro-2-methylphenyl)-1H-pyrazole-4-sulfonamide
CID 1510184
1-((4-Fluorophenyl)methyl)-1H-pyrazol-4-amine
CID 573282
N-(2-butan-2-ylphenyl)-1-ethylpyrazole-4-sulfonamide
CID 6464746
1-ethyl-N-(2-fluoro-5-methylphenyl)pyrazole-4-sulfonamide
CID 6470601
Pyrazole, 1-benzyl-4-(methylamino)-
CID 206698
N-({1-[(1-ethyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl}methyl)-1-phenylmethanesulfonamide
CID 16187896
Pyrazole, 1-benzyl-4-(dimethylamino)-
CID 206687
Pyrazole, 1-benzyl-4-(diethylamino)-
CID 206690
1H-Pyrazol-4-amine, 1-(2-phenylethyl)-, hydrochloride (1:?)
CID 206695

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]ethanesulfonamide?
The IUPAC name of N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]ethanesulfonamide (CID 19582228) is N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]ethanesulfonamide.
What is the SMILES notation for N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]ethanesulfonamide?
The canonical SMILES for N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]ethanesulfonamide is CCS(=O)(=O)Nc1cnn(Cc2cccc(C)c2)c1.
What is the InChIKey of N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]ethanesulfonamide?
The InChIKey is BWKMMJXCZLZNOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-3-19(17,18)15-13-8-14-16(10-13)9-12-6-4-5-11(2)7-12/h4-8,10,15H,3,9H2,1-2H3.
What are the key properties of N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]ethanesulfonamide?
N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]ethanesulfonamide has a molecular weight of 279.37 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]ethanesulfonamide is sourced from PubChem (CID 19582228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).