[5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrazol-3-yl]methanol

C12H11F3N2O — CID 115092939

IUPAC[5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrazol-3-yl]methanol
SMILESOCc1cc(Cc2cccc(C(F)(F)F)c2)[nH]n1
InChIInChI=1S/C12H11F3N2O/c13-12(14,15)9-3-1-2-8(4-9)5-10-6-11(7-18)17-16-10/h1-4,6,18H,5,7H2,(H,16,17)
InChIKeyZGUNBJUMMMIZHB-UHFFFAOYSA-N
MW256.23 g/mol
LogP2.51
Rot. Bonds3

About [5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrazol-3-yl]methanol

[5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrazol-3-yl]methanol (PubChem CID 115092939) has the molecular formula C12H11F3N2O and a molecular weight of 256.23 g/mol. Its IUPAC name is [5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrazol-3-yl]methanol.

Molecular Properties

Compound Name[5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrazol-3-yl]methanol
PubChem CID115092939
Molecular FormulaC12H11F3N2O
Molecular Weight256.23 g/mol
Exact Mass256.08
IUPAC Name[5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrazol-3-yl]methanol
SMILESOCc1cc(Cc2cccc(C(F)(F)F)c2)[nH]n1
InChIInChI=1S/C12H11F3N2O/c13-12(14,15)9-3-1-2-8(4-9)5-10-6-11(7-18)17-16-10/h1-4,6,18H,5,7H2,(H,16,17)
InChIKeyZGUNBJUMMMIZHB-UHFFFAOYSA-N
XLogP2.51
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.23
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1,1,2,2,3,3-hexadeuterio-3-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 58227076
6-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyridin-2-one
CID 154239731
3-ethyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-1,2,4-triazole
CID 123448222
2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine
CID 121010377
acetic acid;[3-(trifluoromethyl)phenyl]methanol
CID 71340400
[5-[(3-bromophenyl)methyl]-1H-pyrazol-3-yl]methanamine
CID 115092952
3-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 18755618
4-ethyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazole
CID 163606669
3-[[3-(trifluoromethyl)phenyl]methyl]-1H-[1,2,4]triazolo[4,3-a]pyridin-5-one
CID 117141921
1-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]benzene
CID 122368794
3-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]-2H-pyrazolo[4,3-c]pyridine
CID 153204005
5-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]-1,2-dihydropyrazol-3-one
CID 141273226

Frequently Asked Questions

What is the IUPAC name of [5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrazol-3-yl]methanol?
The IUPAC name of [5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrazol-3-yl]methanol (CID 115092939) is [5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrazol-3-yl]methanol.
What is the SMILES notation for [5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrazol-3-yl]methanol?
The canonical SMILES for [5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrazol-3-yl]methanol is OCc1cc(Cc2cccc(C(F)(F)F)c2)[nH]n1.
What is the InChIKey of [5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrazol-3-yl]methanol?
The InChIKey is ZGUNBJUMMMIZHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O/c13-12(14,15)9-3-1-2-8(4-9)5-10-6-11(7-18)17-16-10/h1-4,6,18H,5,7H2,(H,16,17).
What are the key properties of [5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrazol-3-yl]methanol?
[5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrazol-3-yl]methanol has a molecular weight of 256.23 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrazol-3-yl]methanol is sourced from PubChem (CID 115092939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).