[2-fluoro-6-methyl-4-(1-propan-2-ylsulfonylpyrazol-4-yl)phenyl]methanol

C14H17FN2O3S — CID 171906249

IUPAC[2-fluoro-6-methyl-4-(1-propan-2-ylsulfonylpyrazol-4-yl)phenyl]methanol
SMILESCc1cc(-c2cnn(S(=O)(=O)C(C)C)c2)cc(F)c1CO
InChIInChI=1S/C14H17FN2O3S/c1-9(2)21(19,20)17-7-12(6-16-17)11-4-10(3)13(8-18)14(15)5-11/h4-7,9,18H,8H2,1-3H3
InChIKeyWVYWJMRBSOCJSZ-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.08
Rot. Bonds4

About [2-fluoro-6-methyl-4-(1-propan-2-ylsulfonylpyrazol-4-yl)phenyl]methanol

[2-fluoro-6-methyl-4-(1-propan-2-ylsulfonylpyrazol-4-yl)phenyl]methanol (PubChem CID 171906249) has the molecular formula C14H17FN2O3S and a molecular weight of 312.37 g/mol. Its IUPAC name is [2-fluoro-6-methyl-4-(1-propan-2-ylsulfonylpyrazol-4-yl)phenyl]methanol.

Molecular Properties

Compound Name[2-fluoro-6-methyl-4-(1-propan-2-ylsulfonylpyrazol-4-yl)phenyl]methanol
PubChem CID171906249
Molecular FormulaC14H17FN2O3S
Molecular Weight312.37 g/mol
Exact Mass312.09
IUPAC Name[2-fluoro-6-methyl-4-(1-propan-2-ylsulfonylpyrazol-4-yl)phenyl]methanol
SMILESCc1cc(-c2cnn(S(=O)(=O)C(C)C)c2)cc(F)c1CO
InChIInChI=1S/C14H17FN2O3S/c1-9(2)21(19,20)17-7-12(6-16-17)11-4-10(3)13(8-18)14(15)5-11/h4-7,9,18H,8H2,1-3H3
InChIKeyWVYWJMRBSOCJSZ-UHFFFAOYSA-N
XLogP2.08
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(1-(Ethylsulfonyl)-1H-pyrazol-4-yl)-2-fluoro-4-methylbenzoic acid
CID 171906100
2-Fluoro-5-(1-(isopropylsulfonyl)-1H-pyrazol-4-yl)-4-methylbenzoic acid
CID 171906101
5-(1-(Cyclopropylsulfonyl)-1H-pyrazol-4-yl)-2-fluoro-4-methylbenzoic acid
CID 171906102
4-(1-(Ethylsulfonyl)-1H-pyrazol-4-yl)-2-fluoro-5-methylbenzoic acid
CID 171906132
2-Fluoro-4-(1-(isopropylsulfonyl)-1H-pyrazol-4-yl)-5-methylbenzoic acid
CID 171906133
4-(1-(Cyclopropylsulfonyl)-1H-pyrazol-4-yl)-2-fluoro-5-methylbenzoic acid
CID 171906134
(4-(1-(Ethylsulfonyl)-1H-pyrazol-4-yl)-2-fluoro-5-methylphenyl)methanol
CID 171906153
(2-Fluoro-4-(1-(isopropylsulfonyl)-1H-pyrazol-4-yl)-5-methylphenyl)methanol
CID 171906154
(4-(1-(Cyclopropylsulfonyl)-1H-pyrazol-4-yl)-2-fluoro-5-methylphenyl)methanol
CID 171906155
(2-Fluoro-6-methyl-4-(1H-pyrazol-4-yl)phenyl)methanol
CID 171906227
(4-(1-(Ethylsulfonyl)-1H-pyrazol-4-yl)-2-fluoro-6-methylphenyl)methanol
CID 171906248
(4-(1-(Cyclopropylsulfonyl)-1H-pyrazol-4-yl)-2-fluoro-6-methylphenyl)methanol
CID 171906250

Frequently Asked Questions

What is the IUPAC name of [2-fluoro-6-methyl-4-(1-propan-2-ylsulfonylpyrazol-4-yl)phenyl]methanol?
The IUPAC name of [2-fluoro-6-methyl-4-(1-propan-2-ylsulfonylpyrazol-4-yl)phenyl]methanol (CID 171906249) is [2-fluoro-6-methyl-4-(1-propan-2-ylsulfonylpyrazol-4-yl)phenyl]methanol.
What is the SMILES notation for [2-fluoro-6-methyl-4-(1-propan-2-ylsulfonylpyrazol-4-yl)phenyl]methanol?
The canonical SMILES for [2-fluoro-6-methyl-4-(1-propan-2-ylsulfonylpyrazol-4-yl)phenyl]methanol is Cc1cc(-c2cnn(S(=O)(=O)C(C)C)c2)cc(F)c1CO.
What is the InChIKey of [2-fluoro-6-methyl-4-(1-propan-2-ylsulfonylpyrazol-4-yl)phenyl]methanol?
The InChIKey is WVYWJMRBSOCJSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O3S/c1-9(2)21(19,20)17-7-12(6-16-17)11-4-10(3)13(8-18)14(15)5-11/h4-7,9,18H,8H2,1-3H3.
What are the key properties of [2-fluoro-6-methyl-4-(1-propan-2-ylsulfonylpyrazol-4-yl)phenyl]methanol?
[2-fluoro-6-methyl-4-(1-propan-2-ylsulfonylpyrazol-4-yl)phenyl]methanol has a molecular weight of 312.37 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-6-methyl-4-(1-propan-2-ylsulfonylpyrazol-4-yl)phenyl]methanol is sourced from PubChem (CID 171906249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).