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

C12H11F3N2O2 — CID 58733760

IUPAC[3-methyl-1-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]methanol
SMILESCc1nn(-c2ccc(OC(F)(F)F)cc2)cc1CO
InChIInChI=1S/C12H11F3N2O2/c1-8-9(7-18)6-17(16-8)10-2-4-11(5-3-10)19-12(13,14)15/h2-6,18H,7H2,1H3
InChIKeyGLSJKOLROLWMMT-UHFFFAOYSA-N
MW272.23 g/mol
LogP2.57
Rot. Bonds3

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

[3-methyl-1-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]methanol (PubChem CID 58733760) has the molecular formula C12H11F3N2O2 and a molecular weight of 272.23 g/mol. Its IUPAC name is [3-methyl-1-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]methanol.

Molecular Properties

Compound Name[3-methyl-1-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]methanol
PubChem CID58733760
Molecular FormulaC12H11F3N2O2
Molecular Weight272.23 g/mol
Exact Mass272.08
IUPAC Name[3-methyl-1-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]methanol
SMILESCc1nn(-c2ccc(OC(F)(F)F)cc2)cc1CO
InChIInChI=1S/C12H11F3N2O2/c1-8-9(7-18)6-17(16-8)10-2-4-11(5-3-10)19-12(13,14)15/h2-6,18H,7H2,1H3
InChIKeyGLSJKOLROLWMMT-UHFFFAOYSA-N
XLogP2.57
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.23
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]methanol?
The IUPAC name of [3-methyl-1-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]methanol (CID 58733760) is [3-methyl-1-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]methanol.
What is the SMILES notation for [3-methyl-1-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]methanol?
The canonical SMILES for [3-methyl-1-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]methanol is Cc1nn(-c2ccc(OC(F)(F)F)cc2)cc1CO.
What is the InChIKey of [3-methyl-1-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]methanol?
The InChIKey is GLSJKOLROLWMMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O2/c1-8-9(7-18)6-17(16-8)10-2-4-11(5-3-10)19-12(13,14)15/h2-6,18H,7H2,1H3.
What are the key properties of [3-methyl-1-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]methanol?
[3-methyl-1-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]methanol has a molecular weight of 272.23 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]methanol is sourced from PubChem (CID 58733760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).