[2-fluoro-6-methyl-4-(1H-pyrazol-4-yl)phenyl]methanol

C11H11FN2O — CID 171906227

IUPAC[2-fluoro-6-methyl-4-(1H-pyrazol-4-yl)phenyl]methanol
SMILESCc1cc(-c2cn[nH]c2)cc(F)c1CO
InChIInChI=1S/C11H11FN2O/c1-7-2-8(9-4-13-14-5-9)3-11(12)10(7)6-15/h2-5,15H,6H2,1H3,(H,13,14)
InChIKeyCGLSOKGQMVSXAZ-UHFFFAOYSA-N
MW206.22 g/mol
LogP2.02
Rot. Bonds2

About [2-fluoro-6-methyl-4-(1H-pyrazol-4-yl)phenyl]methanol

[2-fluoro-6-methyl-4-(1H-pyrazol-4-yl)phenyl]methanol (PubChem CID 171906227) has the molecular formula C11H11FN2O and a molecular weight of 206.22 g/mol. Its IUPAC name is [2-fluoro-6-methyl-4-(1H-pyrazol-4-yl)phenyl]methanol.

Molecular Properties

Compound Name[2-fluoro-6-methyl-4-(1H-pyrazol-4-yl)phenyl]methanol
PubChem CID171906227
Molecular FormulaC11H11FN2O
Molecular Weight206.22 g/mol
Exact Mass206.09
IUPAC Name[2-fluoro-6-methyl-4-(1H-pyrazol-4-yl)phenyl]methanol
SMILESCc1cc(-c2cn[nH]c2)cc(F)c1CO
InChIInChI=1S/C11H11FN2O/c1-7-2-8(9-4-13-14-5-9)3-11(12)10(7)6-15/h2-5,15H,6H2,1H3,(H,13,14)
InChIKeyCGLSOKGQMVSXAZ-UHFFFAOYSA-N
XLogP2.02
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-fluoro-6-methyl-4-(1H-pyrazol-4-yl)phenyl]methanol?
The IUPAC name of [2-fluoro-6-methyl-4-(1H-pyrazol-4-yl)phenyl]methanol (CID 171906227) is [2-fluoro-6-methyl-4-(1H-pyrazol-4-yl)phenyl]methanol.
What is the SMILES notation for [2-fluoro-6-methyl-4-(1H-pyrazol-4-yl)phenyl]methanol?
The canonical SMILES for [2-fluoro-6-methyl-4-(1H-pyrazol-4-yl)phenyl]methanol is Cc1cc(-c2cn[nH]c2)cc(F)c1CO.
What is the InChIKey of [2-fluoro-6-methyl-4-(1H-pyrazol-4-yl)phenyl]methanol?
The InChIKey is CGLSOKGQMVSXAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O/c1-7-2-8(9-4-13-14-5-9)3-11(12)10(7)6-15/h2-5,15H,6H2,1H3,(H,13,14).
What are the key properties of [2-fluoro-6-methyl-4-(1H-pyrazol-4-yl)phenyl]methanol?
[2-fluoro-6-methyl-4-(1H-pyrazol-4-yl)phenyl]methanol has a molecular weight of 206.22 g/mol, XLogP of 2.02, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-6-methyl-4-(1H-pyrazol-4-yl)phenyl]methanol is sourced from PubChem (CID 171906227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).