[1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methanol

C11H9F3N2O — CID 44819037

IUPAC[1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methanol
SMILESOCc1ccn(-c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C11H9F3N2O/c12-11(13,14)8-1-3-10(4-2-8)16-6-5-9(7-17)15-16/h1-6,17H,7H2
InChIKeyUWWGVXCFMYPERV-UHFFFAOYSA-N
MW242.20 g/mol
LogP2.38
Rot. Bonds2

About [1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methanol

[1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methanol (PubChem CID 44819037) has the molecular formula C11H9F3N2O and a molecular weight of 242.20 g/mol. Its IUPAC name is [1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methanol.

Molecular Properties

Compound Name[1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methanol
PubChem CID44819037
Molecular FormulaC11H9F3N2O
Molecular Weight242.20 g/mol
Exact Mass242.07
IUPAC Name[1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methanol
SMILESOCc1ccn(-c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C11H9F3N2O/c12-11(13,14)8-1-3-10(4-2-8)16-6-5-9(7-17)15-16/h1-6,17H,7H2
InChIKeyUWWGVXCFMYPERV-UHFFFAOYSA-N
XLogP2.38
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 ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methanol?
The IUPAC name of [1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methanol (CID 44819037) is [1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methanol.
What is the SMILES notation for [1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methanol?
The canonical SMILES for [1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methanol is OCc1ccn(-c2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of [1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methanol?
The InChIKey is UWWGVXCFMYPERV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2O/c12-11(13,14)8-1-3-10(4-2-8)16-6-5-9(7-17)15-16/h1-6,17H,7H2.
What are the key properties of [1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methanol?
[1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methanol has a molecular weight of 242.20 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methanol is sourced from PubChem (CID 44819037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).