1-METHYL-3-PHENYL-1H-PYRAZOL-5-YLSULFAMIC ACID

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group.

Phenylpyrazoles

Organic compounds

Organoheterocyclic compounds

Azoles

Pyrazoles

Calculated Property

kind Value Source
logP 0.87 ALOGPS
logS -2.4 ALOGPS
Water Solubility 1.08e+00 g/l ALOGPS
logP -1 ChemAxon
IUPAC Name N-(1-methyl-3-phenyl-1H-pyrazol-5-yl)sulfamic acid ChemAxon
Traditional IUPAC Name N-(2-methyl-5-phenylpyrazol-3-yl)sulfamic acid ChemAxon
Molecular Weight 253.278 ChemAxon
Monoisotopic Weight 253.052111923 ChemAxon
SMILES CN1N=C(C=C1NS(O)(=O)=O)C1=CC=CC=C1 ChemAxon
Molecular Formula C10H11N3O3S ChemAxon
InChI InChI=1S/C10H11N3O3S/c1-13-10(12-17(14,15)16)7-9(11-13)8-5-3-2-4-6-8/h2-7,12H,1H3,(H,14,15,16) ChemAxon
InChIKey InChIKey=OTZLVSGSRPNRFT-UHFFFAOYSA-N ChemAxon
Polar Surface Area (PSA) 84.22 ChemAxon
Refractivity 72.9 ChemAxon
Polarizability 24.75 ChemAxon
Rotatable Bond Count 2 ChemAxon
H Bond Acceptor Count 4 ChemAxon
H Bond Donor Count 2 ChemAxon
pKa (strongest acidic) -1.8 ChemAxon
pKa (strongest basic) 3.08 ChemAxon
Physiological Charge -1 ChemAxon
Number of Rings 2 ChemAxon
Bioavailability 1 ChemAxon
Rule of Five 1 ChemAxon
Ghose Filter 0 ChemAxon
MDDR-Like Rule 0 ChemAxon

Target within organism

  • Tyrosine-protein phosphatase non-receptor type 1 : in Human