[4-[3-(difluoromethyl)-1-(4-hydroxyphenyl)pyrazol-5-yl]phenyl]methanesulfinate

C17H13F2N2O3S- — CID 174283623

IUPAC[4-[3-(difluoromethyl)-1-(4-hydroxyphenyl)pyrazol-5-yl]phenyl]methanesulfinate
SMILESO=S([O-])Cc1ccc(-c2cc(C(F)F)nn2-c2ccc(O)cc2)cc1
InChIInChI=1S/C17H14F2N2O3S/c18-17(19)15-9-16(12-3-1-11(2-4-12)10-25(23)24)21(20-15)13-5-7-14(22)8-6-13/h1-9,17,22H,10H2,(H,23,24)/p-1
InChIKeyHEZWUHAMQXZRCO-UHFFFAOYSA-M
MW363.37 g/mol
LogP3.56
Rot. Bonds5

About [4-[3-(difluoromethyl)-1-(4-hydroxyphenyl)pyrazol-5-yl]phenyl]methanesulfinate

[4-[3-(difluoromethyl)-1-(4-hydroxyphenyl)pyrazol-5-yl]phenyl]methanesulfinate (PubChem CID 174283623) has the molecular formula C17H13F2N2O3S- and a molecular weight of 363.37 g/mol. Its IUPAC name is [4-[3-(difluoromethyl)-1-(4-hydroxyphenyl)pyrazol-5-yl]phenyl]methanesulfinate.

Molecular Properties

Compound Name[4-[3-(difluoromethyl)-1-(4-hydroxyphenyl)pyrazol-5-yl]phenyl]methanesulfinate
PubChem CID174283623
Molecular FormulaC17H13F2N2O3S-
Molecular Weight363.37 g/mol
Exact Mass363.06
IUPAC Name[4-[3-(difluoromethyl)-1-(4-hydroxyphenyl)pyrazol-5-yl]phenyl]methanesulfinate
SMILESO=S([O-])Cc1ccc(-c2cc(C(F)F)nn2-c2ccc(O)cc2)cc1
InChIInChI=1S/C17H14F2N2O3S/c18-17(19)15-9-16(12-3-1-11(2-4-12)10-25(23)24)21(20-15)13-5-7-14(22)8-6-13/h1-9,17,22H,10H2,(H,23,24)/p-1
InChIKeyHEZWUHAMQXZRCO-UHFFFAOYSA-M
XLogP3.56
TPSA78.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.37
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

Analyze [4-[3-(difluoromethyl)-1-(4-hydroxyphenyl)pyrazol-5-yl]phenyl]methanesulfinate 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

4-[3-(difluoromethyl)-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]phenol
CID 135990947
4-[3-(difluoromethyl)-5-[2-(4-methylsulfonylphenyl)phenyl]pyrazol-1-yl]phenol
CID 67804250
5-(4-chlorophenyl)-3-(difluoromethyl)-1-(4-methylphenyl)pyrazole
CID 143036335
4-[3-(difluoromethyl)-1-(4-sulfamoylphenyl)pyrazol-5-yl]benzoic acid
CID 10668272
4-[5-(4-chlorophenyl)-3-(difluoromethyl)pyrazol-1-yl]aniline
CID 70336206
4-[5-(4-chlorophenyl)-3-(difluoromethyl)pyrazol-1-yl]aniline;formaldehyde
CID 143049758
2-[2-[4-[3-(difluoromethyl)-1-(4-methoxyphenyl)pyrazol-5-yl]phenyl]ethyl]isoindole-1,3-dione
CID 21090702
3-(difluoromethyl)-1-(4-fluoro-3-methylphenyl)-5-(4-methylsulfonylphenyl)pyrazole
CID 18355439
4-[3-[1,5-bis(methylamino)pentan-3-yl]-5-(4-methoxyphenyl)pyrazol-1-yl]phenol;formaldehyde
CID 143548371
1-(1,3-benzodioxol-5-yl)-3-(difluoromethyl)-5-(4-methylsulfonylphenyl)pyrazole
CID 22909693
4-[3-(difluoromethyl)-1-(4-fluorophenyl)pyrazol-5-yl]-2,6-difluorobenzenesulfonamide
CID 22745685
lithium [4-[3-(difluoromethyl)-5-(3-fluoro-4-methoxyphenyl)pyrazol-1-yl]phenyl]sulfonylazanide
CID 23690247

Frequently Asked Questions

What is the IUPAC name of [4-[3-(difluoromethyl)-1-(4-hydroxyphenyl)pyrazol-5-yl]phenyl]methanesulfinate?
The IUPAC name of [4-[3-(difluoromethyl)-1-(4-hydroxyphenyl)pyrazol-5-yl]phenyl]methanesulfinate (CID 174283623) is [4-[3-(difluoromethyl)-1-(4-hydroxyphenyl)pyrazol-5-yl]phenyl]methanesulfinate.
What is the SMILES notation for [4-[3-(difluoromethyl)-1-(4-hydroxyphenyl)pyrazol-5-yl]phenyl]methanesulfinate?
The canonical SMILES for [4-[3-(difluoromethyl)-1-(4-hydroxyphenyl)pyrazol-5-yl]phenyl]methanesulfinate is O=S([O-])Cc1ccc(-c2cc(C(F)F)nn2-c2ccc(O)cc2)cc1.
What is the InChIKey of [4-[3-(difluoromethyl)-1-(4-hydroxyphenyl)pyrazol-5-yl]phenyl]methanesulfinate?
The InChIKey is HEZWUHAMQXZRCO-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H14F2N2O3S/c18-17(19)15-9-16(12-3-1-11(2-4-12)10-25(23)24)21(20-15)13-5-7-14(22)8-6-13/h1-9,17,22H,10H2,(H,23,24)/p-1.
What are the key properties of [4-[3-(difluoromethyl)-1-(4-hydroxyphenyl)pyrazol-5-yl]phenyl]methanesulfinate?
[4-[3-(difluoromethyl)-1-(4-hydroxyphenyl)pyrazol-5-yl]phenyl]methanesulfinate has a molecular weight of 363.37 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(difluoromethyl)-1-(4-hydroxyphenyl)pyrazol-5-yl]phenyl]methanesulfinate is sourced from PubChem (CID 174283623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).