[4-(1-cyclopropylsulfonylpyrazol-4-yl)-2-fluoro-6-methylphenyl]methanol

C14H15FN2O3S — CID 171906250

IUPAC[4-(1-cyclopropylsulfonylpyrazol-4-yl)-2-fluoro-6-methylphenyl]methanol
SMILESCc1cc(-c2cnn(S(=O)(=O)C3CC3)c2)cc(F)c1CO
InChIInChI=1S/C14H15FN2O3S/c1-9-4-10(5-14(15)13(9)8-18)11-6-16-17(7-11)21(19,20)12-2-3-12/h4-7,12,18H,2-3,8H2,1H3
InChIKeyPZYRXMCZIZIOGQ-UHFFFAOYSA-N
MW310.35 g/mol
LogP1.83
Rot. Bonds4

About [4-(1-cyclopropylsulfonylpyrazol-4-yl)-2-fluoro-6-methylphenyl]methanol

[4-(1-cyclopropylsulfonylpyrazol-4-yl)-2-fluoro-6-methylphenyl]methanol (PubChem CID 171906250) has the molecular formula C14H15FN2O3S and a molecular weight of 310.35 g/mol. Its IUPAC name is [4-(1-cyclopropylsulfonylpyrazol-4-yl)-2-fluoro-6-methylphenyl]methanol.

Molecular Properties

Compound Name[4-(1-cyclopropylsulfonylpyrazol-4-yl)-2-fluoro-6-methylphenyl]methanol
PubChem CID171906250
Molecular FormulaC14H15FN2O3S
Molecular Weight310.35 g/mol
Exact Mass310.08
IUPAC Name[4-(1-cyclopropylsulfonylpyrazol-4-yl)-2-fluoro-6-methylphenyl]methanol
SMILESCc1cc(-c2cnn(S(=O)(=O)C3CC3)c2)cc(F)c1CO
InChIInChI=1S/C14H15FN2O3S/c1-9-4-10(5-14(15)13(9)8-18)11-6-16-17(7-11)21(19,20)12-2-3-12/h4-7,12,18H,2-3,8H2,1H3
InChIKeyPZYRXMCZIZIOGQ-UHFFFAOYSA-N
XLogP1.83
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(1-cyclopropylsulfonylpyrazol-4-yl)-2-fluoro-6-methylphenyl]methanol?
The IUPAC name of [4-(1-cyclopropylsulfonylpyrazol-4-yl)-2-fluoro-6-methylphenyl]methanol (CID 171906250) is [4-(1-cyclopropylsulfonylpyrazol-4-yl)-2-fluoro-6-methylphenyl]methanol.
What is the SMILES notation for [4-(1-cyclopropylsulfonylpyrazol-4-yl)-2-fluoro-6-methylphenyl]methanol?
The canonical SMILES for [4-(1-cyclopropylsulfonylpyrazol-4-yl)-2-fluoro-6-methylphenyl]methanol is Cc1cc(-c2cnn(S(=O)(=O)C3CC3)c2)cc(F)c1CO.
What is the InChIKey of [4-(1-cyclopropylsulfonylpyrazol-4-yl)-2-fluoro-6-methylphenyl]methanol?
The InChIKey is PZYRXMCZIZIOGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O3S/c1-9-4-10(5-14(15)13(9)8-18)11-6-16-17(7-11)21(19,20)12-2-3-12/h4-7,12,18H,2-3,8H2,1H3.
What are the key properties of [4-(1-cyclopropylsulfonylpyrazol-4-yl)-2-fluoro-6-methylphenyl]methanol?
[4-(1-cyclopropylsulfonylpyrazol-4-yl)-2-fluoro-6-methylphenyl]methanol has a molecular weight of 310.35 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-cyclopropylsulfonylpyrazol-4-yl)-2-fluoro-6-methylphenyl]methanol is sourced from PubChem (CID 171906250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).