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

C6H7F3N2O — CID 124707038

IUPAC[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]methanol
SMILESCn1ncc(C(F)(F)F)c1CO
InChIInChI=1S/C6H7F3N2O/c1-11-5(3-12)4(2-10-11)6(7,8)9/h2,12H,3H2,1H3
InChIKeyWSQPJUKEQWOPNH-UHFFFAOYSA-N
MW180.13 g/mol
LogP0.93
Rot. Bonds1

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

[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]methanol (PubChem CID 124707038) has the molecular formula C6H7F3N2O and a molecular weight of 180.13 g/mol. Its IUPAC name is [1-methyl-4-(trifluoromethyl)pyrazol-5-yl]methanol.

Molecular Properties

Compound Name[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]methanol
PubChem CID124707038
Molecular FormulaC6H7F3N2O
Molecular Weight180.13 g/mol
Exact Mass180.05
IUPAC Name[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]methanol
SMILESCn1ncc(C(F)(F)F)c1CO
InChIInChI=1S/C6H7F3N2O/c1-11-5(3-12)4(2-10-11)6(7,8)9/h2,12H,3H2,1H3
InChIKeyWSQPJUKEQWOPNH-UHFFFAOYSA-N
XLogP0.93
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.13
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-methyl-4-(trifluoromethyl)pyrazol-5-yl]methanol?
The IUPAC name of [1-methyl-4-(trifluoromethyl)pyrazol-5-yl]methanol (CID 124707038) is [1-methyl-4-(trifluoromethyl)pyrazol-5-yl]methanol.
What is the SMILES notation for [1-methyl-4-(trifluoromethyl)pyrazol-5-yl]methanol?
The canonical SMILES for [1-methyl-4-(trifluoromethyl)pyrazol-5-yl]methanol is Cn1ncc(C(F)(F)F)c1CO.
What is the InChIKey of [1-methyl-4-(trifluoromethyl)pyrazol-5-yl]methanol?
The InChIKey is WSQPJUKEQWOPNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N2O/c1-11-5(3-12)4(2-10-11)6(7,8)9/h2,12H,3H2,1H3.
What are the key properties of [1-methyl-4-(trifluoromethyl)pyrazol-5-yl]methanol?
[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]methanol has a molecular weight of 180.13 g/mol, XLogP of 0.93, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-4-(trifluoromethyl)pyrazol-5-yl]methanol is sourced from PubChem (CID 124707038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).