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

C11H9F3N2O2 — CID 44819039

IUPAC[1-[4-(trifluoromethoxy)phenyl]pyrazol-3-yl]methanol
SMILESOCc1ccn(-c2ccc(OC(F)(F)F)cc2)n1
InChIInChI=1S/C11H9F3N2O2/c12-11(13,14)18-10-3-1-9(2-4-10)16-6-5-8(7-17)15-16/h1-6,17H,7H2
InChIKeySPCVPZNMWIWDQT-UHFFFAOYSA-N
MW258.20 g/mol
LogP2.26
Rot. Bonds3

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

[1-[4-(trifluoromethoxy)phenyl]pyrazol-3-yl]methanol (PubChem CID 44819039) has the molecular formula C11H9F3N2O2 and a molecular weight of 258.20 g/mol. Its IUPAC name is [1-[4-(trifluoromethoxy)phenyl]pyrazol-3-yl]methanol.

Molecular Properties

Compound Name[1-[4-(trifluoromethoxy)phenyl]pyrazol-3-yl]methanol
PubChem CID44819039
Molecular FormulaC11H9F3N2O2
Molecular Weight258.20 g/mol
Exact Mass258.06
IUPAC Name[1-[4-(trifluoromethoxy)phenyl]pyrazol-3-yl]methanol
SMILESOCc1ccn(-c2ccc(OC(F)(F)F)cc2)n1
InChIInChI=1S/C11H9F3N2O2/c12-11(13,14)18-10-3-1-9(2-4-10)16-6-5-8(7-17)15-16/h1-6,17H,7H2
InChIKeySPCVPZNMWIWDQT-UHFFFAOYSA-N
XLogP2.26
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.20
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [1-[4-(trifluoromethoxy)phenyl]pyrazol-3-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-[4-(trifluoromethoxy)phenyl]pyrazol-3-yl]methanol?
The IUPAC name of [1-[4-(trifluoromethoxy)phenyl]pyrazol-3-yl]methanol (CID 44819039) is [1-[4-(trifluoromethoxy)phenyl]pyrazol-3-yl]methanol.
What is the SMILES notation for [1-[4-(trifluoromethoxy)phenyl]pyrazol-3-yl]methanol?
The canonical SMILES for [1-[4-(trifluoromethoxy)phenyl]pyrazol-3-yl]methanol is OCc1ccn(-c2ccc(OC(F)(F)F)cc2)n1.
What is the InChIKey of [1-[4-(trifluoromethoxy)phenyl]pyrazol-3-yl]methanol?
The InChIKey is SPCVPZNMWIWDQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2O2/c12-11(13,14)18-10-3-1-9(2-4-10)16-6-5-8(7-17)15-16/h1-6,17H,7H2.
What are the key properties of [1-[4-(trifluoromethoxy)phenyl]pyrazol-3-yl]methanol?
[1-[4-(trifluoromethoxy)phenyl]pyrazol-3-yl]methanol has a molecular weight of 258.20 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(trifluoromethoxy)phenyl]pyrazol-3-yl]methanol is sourced from PubChem (CID 44819039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).