[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]methanol

C12H8F6N2O — CID 18449040

IUPAC[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]methanol
SMILESOCc1ccc(-n2nc(C(F)(F)F)cc2C(F)(F)F)cc1
InChIInChI=1S/C12H8F6N2O/c13-11(14,15)9-5-10(12(16,17)18)20(19-9)8-3-1-7(6-21)2-4-8/h1-5,21H,6H2
InChIKeyIDLOKIBYQWAHJC-UHFFFAOYSA-N
MW310.20 g/mol
LogP3.40
Rot. Bonds2

About [4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]methanol

[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]methanol (PubChem CID 18449040) has the molecular formula C12H8F6N2O and a molecular weight of 310.20 g/mol. Its IUPAC name is [4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]methanol.

Molecular Properties

Compound Name[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]methanol
PubChem CID18449040
Molecular FormulaC12H8F6N2O
Molecular Weight310.20 g/mol
Exact Mass310.05
IUPAC Name[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]methanol
SMILESOCc1ccc(-n2nc(C(F)(F)F)cc2C(F)(F)F)cc1
InChIInChI=1S/C12H8F6N2O/c13-11(14,15)9-5-10(12(16,17)18)20(19-9)8-3-1-7(6-21)2-4-8/h1-5,21H,6H2
InChIKeyIDLOKIBYQWAHJC-UHFFFAOYSA-N
XLogP3.40
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.20
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]methanol?
The IUPAC name of [4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]methanol (CID 18449040) is [4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]methanol.
What is the SMILES notation for [4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]methanol?
The canonical SMILES for [4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]methanol is OCc1ccc(-n2nc(C(F)(F)F)cc2C(F)(F)F)cc1.
What is the InChIKey of [4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]methanol?
The InChIKey is IDLOKIBYQWAHJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F6N2O/c13-11(14,15)9-5-10(12(16,17)18)20(19-9)8-3-1-7(6-21)2-4-8/h1-5,21H,6H2.
What are the key properties of [4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]methanol?
[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]methanol has a molecular weight of 310.20 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]methanol is sourced from PubChem (CID 18449040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).