[3-(difluoromethyl)-1-methylpyrazol-4-yl]methanol

C6H8F2N2O — CID 119031793

IUPAC[3-(difluoromethyl)-1-methylpyrazol-4-yl]methanol
SMILESCn1cc(CO)c(C(F)F)n1
InChIInChI=1S/C6H8F2N2O/c1-10-2-4(3-11)5(9-10)6(7)8/h2,6,11H,3H2,1H3
InChIKeyTUZVVVXMMTUHBR-UHFFFAOYSA-N
MW162.14 g/mol
LogP0.85
Rot. Bonds2

About [3-(difluoromethyl)-1-methylpyrazol-4-yl]methanol

[3-(difluoromethyl)-1-methylpyrazol-4-yl]methanol (PubChem CID 119031793) has the molecular formula C6H8F2N2O and a molecular weight of 162.14 g/mol. Its IUPAC name is [3-(difluoromethyl)-1-methylpyrazol-4-yl]methanol.

Molecular Properties

Compound Name[3-(difluoromethyl)-1-methylpyrazol-4-yl]methanol
PubChem CID119031793
Molecular FormulaC6H8F2N2O
Molecular Weight162.14 g/mol
Exact Mass162.06
IUPAC Name[3-(difluoromethyl)-1-methylpyrazol-4-yl]methanol
SMILESCn1cc(CO)c(C(F)F)n1
InChIInChI=1S/C6H8F2N2O/c1-10-2-4(3-11)5(9-10)6(7)8/h2,6,11H,3H2,1H3
InChIKeyTUZVVVXMMTUHBR-UHFFFAOYSA-N
XLogP0.85
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.14
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(difluoromethyl)-1-methylpyrazol-4-yl]methanol?
The IUPAC name of [3-(difluoromethyl)-1-methylpyrazol-4-yl]methanol (CID 119031793) is [3-(difluoromethyl)-1-methylpyrazol-4-yl]methanol.
What is the SMILES notation for [3-(difluoromethyl)-1-methylpyrazol-4-yl]methanol?
The canonical SMILES for [3-(difluoromethyl)-1-methylpyrazol-4-yl]methanol is Cn1cc(CO)c(C(F)F)n1.
What is the InChIKey of [3-(difluoromethyl)-1-methylpyrazol-4-yl]methanol?
The InChIKey is TUZVVVXMMTUHBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2N2O/c1-10-2-4(3-11)5(9-10)6(7)8/h2,6,11H,3H2,1H3.
What are the key properties of [3-(difluoromethyl)-1-methylpyrazol-4-yl]methanol?
[3-(difluoromethyl)-1-methylpyrazol-4-yl]methanol has a molecular weight of 162.14 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(difluoromethyl)-1-methylpyrazol-4-yl]methanol is sourced from PubChem (CID 119031793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).