[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

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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).