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

C12H11F3N2O — CID 164664654

IUPAC[1-benzyl-5-(trifluoromethyl)pyrazol-3-yl]methanol
SMILESOCc1cc(C(F)(F)F)n(Cc2ccccc2)n1
InChIInChI=1S/C12H11F3N2O/c13-12(14,15)11-6-10(8-18)16-17(11)7-9-4-2-1-3-5-9/h1-6,18H,7-8H2
InChIKeyNWNZSBKYUUIMHU-UHFFFAOYSA-N
MW256.23 g/mol
LogP2.44
Rot. Bonds3

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

[1-benzyl-5-(trifluoromethyl)pyrazol-3-yl]methanol (PubChem CID 164664654) has the molecular formula C12H11F3N2O and a molecular weight of 256.23 g/mol. Its IUPAC name is [1-benzyl-5-(trifluoromethyl)pyrazol-3-yl]methanol.

Molecular Properties

Compound Name[1-benzyl-5-(trifluoromethyl)pyrazol-3-yl]methanol
PubChem CID164664654
Molecular FormulaC12H11F3N2O
Molecular Weight256.23 g/mol
Exact Mass256.08
IUPAC Name[1-benzyl-5-(trifluoromethyl)pyrazol-3-yl]methanol
SMILESOCc1cc(C(F)(F)F)n(Cc2ccccc2)n1
InChIInChI=1S/C12H11F3N2O/c13-12(14,15)11-6-10(8-18)16-17(11)7-9-4-2-1-3-5-9/h1-6,18H,7-8H2
InChIKeyNWNZSBKYUUIMHU-UHFFFAOYSA-N
XLogP2.44
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.23
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-benzyl-5-(trifluoromethyl)pyrazol-3-yl]methanol?
The IUPAC name of [1-benzyl-5-(trifluoromethyl)pyrazol-3-yl]methanol (CID 164664654) is [1-benzyl-5-(trifluoromethyl)pyrazol-3-yl]methanol.
What is the SMILES notation for [1-benzyl-5-(trifluoromethyl)pyrazol-3-yl]methanol?
The canonical SMILES for [1-benzyl-5-(trifluoromethyl)pyrazol-3-yl]methanol is OCc1cc(C(F)(F)F)n(Cc2ccccc2)n1.
What is the InChIKey of [1-benzyl-5-(trifluoromethyl)pyrazol-3-yl]methanol?
The InChIKey is NWNZSBKYUUIMHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O/c13-12(14,15)11-6-10(8-18)16-17(11)7-9-4-2-1-3-5-9/h1-6,18H,7-8H2.
What are the key properties of [1-benzyl-5-(trifluoromethyl)pyrazol-3-yl]methanol?
[1-benzyl-5-(trifluoromethyl)pyrazol-3-yl]methanol has a molecular weight of 256.23 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-benzyl-5-(trifluoromethyl)pyrazol-3-yl]methanol is sourced from PubChem (CID 164664654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).