[4-[1-(trifluoromethyl)pyrazol-4-yl]phenyl]methanol

C11H9F3N2O — CID 170786855

IUPAC[4-[1-(trifluoromethyl)pyrazol-4-yl]phenyl]methanol
SMILESOCc1ccc(-c2cnn(C(F)(F)F)c2)cc1
InChIInChI=1S/C11H9F3N2O/c12-11(13,14)16-6-10(5-15-16)9-3-1-8(7-17)2-4-9/h1-6,17H,7H2
InChIKeyLKLGNGVAEYSJDV-UHFFFAOYSA-N
MW242.20 g/mol
LogP2.52
Rot. Bonds2

About [4-[1-(trifluoromethyl)pyrazol-4-yl]phenyl]methanol

[4-[1-(trifluoromethyl)pyrazol-4-yl]phenyl]methanol (PubChem CID 170786855) has the molecular formula C11H9F3N2O and a molecular weight of 242.20 g/mol. Its IUPAC name is [4-[1-(trifluoromethyl)pyrazol-4-yl]phenyl]methanol.

Molecular Properties

Compound Name[4-[1-(trifluoromethyl)pyrazol-4-yl]phenyl]methanol
PubChem CID170786855
Molecular FormulaC11H9F3N2O
Molecular Weight242.20 g/mol
Exact Mass242.07
IUPAC Name[4-[1-(trifluoromethyl)pyrazol-4-yl]phenyl]methanol
SMILESOCc1ccc(-c2cnn(C(F)(F)F)c2)cc1
InChIInChI=1S/C11H9F3N2O/c12-11(13,14)16-6-10(5-15-16)9-3-1-8(7-17)2-4-9/h1-6,17H,7H2
InChIKeyLKLGNGVAEYSJDV-UHFFFAOYSA-N
XLogP2.52
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.20
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-[1-(trifluoromethyl)pyrazol-4-yl]phenyl]methanol?
The IUPAC name of [4-[1-(trifluoromethyl)pyrazol-4-yl]phenyl]methanol (CID 170786855) is [4-[1-(trifluoromethyl)pyrazol-4-yl]phenyl]methanol.
What is the SMILES notation for [4-[1-(trifluoromethyl)pyrazol-4-yl]phenyl]methanol?
The canonical SMILES for [4-[1-(trifluoromethyl)pyrazol-4-yl]phenyl]methanol is OCc1ccc(-c2cnn(C(F)(F)F)c2)cc1.
What is the InChIKey of [4-[1-(trifluoromethyl)pyrazol-4-yl]phenyl]methanol?
The InChIKey is LKLGNGVAEYSJDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2O/c12-11(13,14)16-6-10(5-15-16)9-3-1-8(7-17)2-4-9/h1-6,17H,7H2.
What are the key properties of [4-[1-(trifluoromethyl)pyrazol-4-yl]phenyl]methanol?
[4-[1-(trifluoromethyl)pyrazol-4-yl]phenyl]methanol has a molecular weight of 242.20 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(trifluoromethyl)pyrazol-4-yl]phenyl]methanol is sourced from PubChem (CID 170786855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).