[1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]methanol

C12H11F3N2O2 — CID 11471256

IUPAC[1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]methanol
SMILESCOc1ccc(-n2nc(C(F)(F)F)cc2CO)cc1
InChIInChI=1S/C12H11F3N2O2/c1-19-10-4-2-8(3-5-10)17-9(7-18)6-11(16-17)12(13,14)15/h2-6,18H,7H2,1H3
InChIKeyVVWJNVLGCMIBJP-UHFFFAOYSA-N
MW272.23 g/mol
LogP2.39
Rot. Bonds3

About [1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]methanol

[1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]methanol (PubChem CID 11471256) has the molecular formula C12H11F3N2O2 and a molecular weight of 272.23 g/mol. Its IUPAC name is [1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]methanol.

Molecular Properties

Compound Name[1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]methanol
PubChem CID11471256
Molecular FormulaC12H11F3N2O2
Molecular Weight272.23 g/mol
Exact Mass272.08
IUPAC Name[1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]methanol
SMILESCOc1ccc(-n2nc(C(F)(F)F)cc2CO)cc1
InChIInChI=1S/C12H11F3N2O2/c1-19-10-4-2-8(3-5-10)17-9(7-18)6-11(16-17)12(13,14)15/h2-6,18H,7H2,1H3
InChIKeyVVWJNVLGCMIBJP-UHFFFAOYSA-N
XLogP2.39
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 ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]methanol?
The IUPAC name of [1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]methanol (CID 11471256) is [1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]methanol.
What is the SMILES notation for [1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]methanol?
The canonical SMILES for [1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]methanol is COc1ccc(-n2nc(C(F)(F)F)cc2CO)cc1.
What is the InChIKey of [1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]methanol?
The InChIKey is VVWJNVLGCMIBJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O2/c1-19-10-4-2-8(3-5-10)17-9(7-18)6-11(16-17)12(13,14)15/h2-6,18H,7H2,1H3.
What are the key properties of [1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]methanol?
[1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]methanol has a molecular weight of 272.23 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]methanol is sourced from PubChem (CID 11471256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).