[1-(difluoromethyl)pyrazol-4-yl]methanol

C5H6F2N2O — CID 122240377

IUPAC[1-(difluoromethyl)pyrazol-4-yl]methanol
SMILESOCc1cnn(C(F)F)c1
InChIInChI=1S/C5H6F2N2O/c6-5(7)9-2-4(3-10)1-8-9/h1-2,5,10H,3H2
InChIKeyNKYVZIQSGUNTML-UHFFFAOYSA-N
MW148.11 g/mol
LogP0.77
Rot. Bonds2

About [1-(difluoromethyl)pyrazol-4-yl]methanol

[1-(difluoromethyl)pyrazol-4-yl]methanol (PubChem CID 122240377) has the molecular formula C5H6F2N2O and a molecular weight of 148.11 g/mol. Its IUPAC name is [1-(difluoromethyl)pyrazol-4-yl]methanol.

Molecular Properties

Compound Name[1-(difluoromethyl)pyrazol-4-yl]methanol
PubChem CID122240377
Molecular FormulaC5H6F2N2O
Molecular Weight148.11 g/mol
Exact Mass148.04
IUPAC Name[1-(difluoromethyl)pyrazol-4-yl]methanol
SMILESOCc1cnn(C(F)F)c1
InChIInChI=1S/C5H6F2N2O/c6-5(7)9-2-4(3-10)1-8-9/h1-2,5,10H,3H2
InChIKeyNKYVZIQSGUNTML-UHFFFAOYSA-N
XLogP0.77
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.11
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(difluoromethyl)pyrazol-4-yl]methanol?
The IUPAC name of [1-(difluoromethyl)pyrazol-4-yl]methanol (CID 122240377) is [1-(difluoromethyl)pyrazol-4-yl]methanol.
What is the SMILES notation for [1-(difluoromethyl)pyrazol-4-yl]methanol?
The canonical SMILES for [1-(difluoromethyl)pyrazol-4-yl]methanol is OCc1cnn(C(F)F)c1.
What is the InChIKey of [1-(difluoromethyl)pyrazol-4-yl]methanol?
The InChIKey is NKYVZIQSGUNTML-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F2N2O/c6-5(7)9-2-4(3-10)1-8-9/h1-2,5,10H,3H2.
What are the key properties of [1-(difluoromethyl)pyrazol-4-yl]methanol?
[1-(difluoromethyl)pyrazol-4-yl]methanol has a molecular weight of 148.11 g/mol, XLogP of 0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(difluoromethyl)pyrazol-4-yl]methanol is sourced from PubChem (CID 122240377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).