3-amino-N-[(4-hydroxyphenyl)methyl]-N,1-dimethylpyrazole-4-sulfonamide

C12H16N4O3S — CID 61139205

IUPAC3-amino-N-[(4-hydroxyphenyl)methyl]-N,1-dimethylpyrazole-4-sulfonamide
SMILESCN(Cc1ccc(O)cc1)S(=O)(=O)c1cn(C)nc1N
InChIInChI=1S/C12H16N4O3S/c1-15-8-11(12(13)14-15)20(18,19)16(2)7-9-3-5-10(17)6-4-9/h3-6,8,17H,7H2,1-2H3,(H2,13,14)
InChIKeyLQWZYITYUDTKLY-UHFFFAOYSA-N
MW296.35 g/mol
LogP0.53
Rot. Bonds4

About 3-amino-N-[(4-hydroxyphenyl)methyl]-N,1-dimethylpyrazole-4-sulfonamide

3-amino-N-[(4-hydroxyphenyl)methyl]-N,1-dimethylpyrazole-4-sulfonamide (PubChem CID 61139205) has the molecular formula C12H16N4O3S and a molecular weight of 296.35 g/mol. Its IUPAC name is 3-amino-N-[(4-hydroxyphenyl)methyl]-N,1-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-N-[(4-hydroxyphenyl)methyl]-N,1-dimethylpyrazole-4-sulfonamide
PubChem CID61139205
Molecular FormulaC12H16N4O3S
Molecular Weight296.35 g/mol
Exact Mass296.09
IUPAC Name3-amino-N-[(4-hydroxyphenyl)methyl]-N,1-dimethylpyrazole-4-sulfonamide
SMILESCN(Cc1ccc(O)cc1)S(=O)(=O)c1cn(C)nc1N
InChIInChI=1S/C12H16N4O3S/c1-15-8-11(12(13)14-15)20(18,19)16(2)7-9-3-5-10(17)6-4-9/h3-6,8,17H,7H2,1-2H3,(H2,13,14)
InChIKeyLQWZYITYUDTKLY-UHFFFAOYSA-N
XLogP0.53
TPSA101.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-amino-N-[(4-hydroxyphenyl)methyl]-N,1-dimethylpyrazole-4-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-ethyl-N-(4-methoxybenzyl)-1H-pyrazole-4-sulfonamide
CID 6470938
2-hydroxy-5-methyl-N-(1-methylpyrazol-3-yl)benzenesulfonamide
CID 47389395
N-(1-benzylpyrazol-3-yl)-2-hydroxy-5-methylbenzenesulfonamide
CID 51125523
1-[(4-Methoxyphenyl)methyl]pyrazole-4-sulfonamide
CID 151243600
3-Amino-1-[(4-hydroxyphenyl)methyl]pyrazole-4-carbonitrile
CID 153372050
4-(((1-Propyl-1H-pyrazol-3-yl)amino)methyl)phenol
CID 19576770
N-[(4-hydroxyphenyl)methyl]-1-methyl-N-phenylpyrazole-4-sulfonamide
CID 53596060
N-[(4-hydroxyphenyl)methyl]-N-methyl-1H-pyrazole-4-sulfonamide
CID 54893440
N-[2-(4-hydroxyphenyl)ethyl]-1-methylpyrazole-4-sulfonamide
CID 55030290
4-(2-{1-[(1-methyl-1H-pyrazol-4-yl)sulfonyl]-2-piperidinyl}ethyl)phenol
CID 56901841
3-amino-N-[(2-methoxyphenyl)methyl]-1-methylpyrazole-4-sulfonamide
CID 60808106
3-amino-1-ethyl-N-[(2-methoxyphenyl)methyl]pyrazole-4-sulfonamide
CID 60808107

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(4-hydroxyphenyl)methyl]-N,1-dimethylpyrazole-4-sulfonamide?
The IUPAC name of 3-amino-N-[(4-hydroxyphenyl)methyl]-N,1-dimethylpyrazole-4-sulfonamide (CID 61139205) is 3-amino-N-[(4-hydroxyphenyl)methyl]-N,1-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-N-[(4-hydroxyphenyl)methyl]-N,1-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-N-[(4-hydroxyphenyl)methyl]-N,1-dimethylpyrazole-4-sulfonamide is CN(Cc1ccc(O)cc1)S(=O)(=O)c1cn(C)nc1N.
What is the InChIKey of 3-amino-N-[(4-hydroxyphenyl)methyl]-N,1-dimethylpyrazole-4-sulfonamide?
The InChIKey is LQWZYITYUDTKLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3S/c1-15-8-11(12(13)14-15)20(18,19)16(2)7-9-3-5-10(17)6-4-9/h3-6,8,17H,7H2,1-2H3,(H2,13,14).
What are the key properties of 3-amino-N-[(4-hydroxyphenyl)methyl]-N,1-dimethylpyrazole-4-sulfonamide?
3-amino-N-[(4-hydroxyphenyl)methyl]-N,1-dimethylpyrazole-4-sulfonamide has a molecular weight of 296.35 g/mol, XLogP of 0.53, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(4-hydroxyphenyl)methyl]-N,1-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 61139205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).