[3-(difluoromethyl)-5-(4-fluorophenyl)sulfonyl-1-methylpyrazol-4-yl]methanol

C12H11F3N2O3S — CID 20699528

IUPAC[3-(difluoromethyl)-5-(4-fluorophenyl)sulfonyl-1-methylpyrazol-4-yl]methanol
SMILESCn1nc(C(F)F)c(CO)c1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C12H11F3N2O3S/c1-17-12(9(6-18)10(16-17)11(14)15)21(19,20)8-4-2-7(13)3-5-8/h2-5,11,18H,6H2,1H3
InChIKeyXRLVOMNHFDNEEL-UHFFFAOYSA-N
MW320.29 g/mol
LogP1.82
Rot. Bonds4

About [3-(difluoromethyl)-5-(4-fluorophenyl)sulfonyl-1-methylpyrazol-4-yl]methanol

[3-(difluoromethyl)-5-(4-fluorophenyl)sulfonyl-1-methylpyrazol-4-yl]methanol (PubChem CID 20699528) has the molecular formula C12H11F3N2O3S and a molecular weight of 320.29 g/mol. Its IUPAC name is [3-(difluoromethyl)-5-(4-fluorophenyl)sulfonyl-1-methylpyrazol-4-yl]methanol.

Molecular Properties

Compound Name[3-(difluoromethyl)-5-(4-fluorophenyl)sulfonyl-1-methylpyrazol-4-yl]methanol
PubChem CID20699528
Molecular FormulaC12H11F3N2O3S
Molecular Weight320.29 g/mol
Exact Mass320.04
IUPAC Name[3-(difluoromethyl)-5-(4-fluorophenyl)sulfonyl-1-methylpyrazol-4-yl]methanol
SMILESCn1nc(C(F)F)c(CO)c1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C12H11F3N2O3S/c1-17-12(9(6-18)10(16-17)11(14)15)21(19,20)8-4-2-7(13)3-5-8/h2-5,11,18H,6H2,1H3
InChIKeyXRLVOMNHFDNEEL-UHFFFAOYSA-N
XLogP1.82
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.29
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [3-(difluoromethyl)-5-(4-fluorophenyl)sulfonyl-1-methylpyrazol-4-yl]methanol 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-methyl-5-[(4-methylphenyl)sulfonyl]-3-phenyl-1H-pyrazol-4-yl}methanol
CID 1474368
(5-((4-Fluorophenyl)thio)-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)methanol
CID 2774743
[1-methyl-5-(phenylsulfanyl)-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl acetate
CID 1475905
5-(4-Bromophenylthio)-4-(hydroxymethyl)-1-methyl-3-(trifluoromethyl)-1h-pyrazole
CID 1475909
[5-[(4-chlorophenyl)sulfonyl]-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methanol
CID 1478787
[5-[(4-bromophenyl)sulfonyl]-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methanol
CID 1478788
1-methyl-5-(phenylsulfonyl)-3-(trifluoromethyl)-1H-pyrazole-4-carbonitrile
CID 1478623
[5-[(4-Fluorophenyl)sulfonyl]-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methanol
CID 2774752
[1-Methyl-5-(phenylsulfanyl)-3-(trifluoromethyl)-1H-pyrazol-4-yl]methanol
CID 2775498
[5-(3,5-Difluorophenyl)sulfanyl-4-ethyl-1-propan-2-ylpyrazol-3-yl]methanol
CID 18619824
[5-(4-Fluorophenyl)sulfonyl-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanethiol
CID 20623902
O-methyl 5-(4-fluorophenyl)sulfanyl-1,3-dimethylpyrazole-4-carbothioate
CID 141806057

Frequently Asked Questions

What is the IUPAC name of [3-(difluoromethyl)-5-(4-fluorophenyl)sulfonyl-1-methylpyrazol-4-yl]methanol?
The IUPAC name of [3-(difluoromethyl)-5-(4-fluorophenyl)sulfonyl-1-methylpyrazol-4-yl]methanol (CID 20699528) is [3-(difluoromethyl)-5-(4-fluorophenyl)sulfonyl-1-methylpyrazol-4-yl]methanol.
What is the SMILES notation for [3-(difluoromethyl)-5-(4-fluorophenyl)sulfonyl-1-methylpyrazol-4-yl]methanol?
The canonical SMILES for [3-(difluoromethyl)-5-(4-fluorophenyl)sulfonyl-1-methylpyrazol-4-yl]methanol is Cn1nc(C(F)F)c(CO)c1S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of [3-(difluoromethyl)-5-(4-fluorophenyl)sulfonyl-1-methylpyrazol-4-yl]methanol?
The InChIKey is XRLVOMNHFDNEEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O3S/c1-17-12(9(6-18)10(16-17)11(14)15)21(19,20)8-4-2-7(13)3-5-8/h2-5,11,18H,6H2,1H3.
What are the key properties of [3-(difluoromethyl)-5-(4-fluorophenyl)sulfonyl-1-methylpyrazol-4-yl]methanol?
[3-(difluoromethyl)-5-(4-fluorophenyl)sulfonyl-1-methylpyrazol-4-yl]methanol has a molecular weight of 320.29 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(difluoromethyl)-5-(4-fluorophenyl)sulfonyl-1-methylpyrazol-4-yl]methanol is sourced from PubChem (CID 20699528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).