[5-(difluoromethoxy)-1H-pyrazol-4-yl]methanol

C5H6F2N2O2 — CID 54298978

IUPAC[5-(difluoromethoxy)-1H-pyrazol-4-yl]methanol
SMILESOCc1cn[nH]c1OC(F)F
InChIInChI=1S/C5H6F2N2O2/c6-5(7)11-4-3(2-10)1-8-9-4/h1,5,10H,2H2,(H,8,9)
InChIKeySCVCNOODJADIHX-UHFFFAOYSA-N
MW164.11 g/mol
LogP0.50
Rot. Bonds3

About [5-(difluoromethoxy)-1H-pyrazol-4-yl]methanol

[5-(difluoromethoxy)-1H-pyrazol-4-yl]methanol (PubChem CID 54298978) has the molecular formula C5H6F2N2O2 and a molecular weight of 164.11 g/mol. Its IUPAC name is [5-(difluoromethoxy)-1H-pyrazol-4-yl]methanol.

Molecular Properties

Compound Name[5-(difluoromethoxy)-1H-pyrazol-4-yl]methanol
PubChem CID54298978
Molecular FormulaC5H6F2N2O2
Molecular Weight164.11 g/mol
Exact Mass164.04
IUPAC Name[5-(difluoromethoxy)-1H-pyrazol-4-yl]methanol
SMILESOCc1cn[nH]c1OC(F)F
InChIInChI=1S/C5H6F2N2O2/c6-5(7)11-4-3(2-10)1-8-9-4/h1,5,10H,2H2,(H,8,9)
InChIKeySCVCNOODJADIHX-UHFFFAOYSA-N
XLogP0.50
TPSA58.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.11
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-(difluoromethoxy)-1H-pyrazol-4-yl]methanol?
The IUPAC name of [5-(difluoromethoxy)-1H-pyrazol-4-yl]methanol (CID 54298978) is [5-(difluoromethoxy)-1H-pyrazol-4-yl]methanol.
What is the SMILES notation for [5-(difluoromethoxy)-1H-pyrazol-4-yl]methanol?
The canonical SMILES for [5-(difluoromethoxy)-1H-pyrazol-4-yl]methanol is OCc1cn[nH]c1OC(F)F.
What is the InChIKey of [5-(difluoromethoxy)-1H-pyrazol-4-yl]methanol?
The InChIKey is SCVCNOODJADIHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F2N2O2/c6-5(7)11-4-3(2-10)1-8-9-4/h1,5,10H,2H2,(H,8,9).
What are the key properties of [5-(difluoromethoxy)-1H-pyrazol-4-yl]methanol?
[5-(difluoromethoxy)-1H-pyrazol-4-yl]methanol has a molecular weight of 164.11 g/mol, XLogP of 0.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(difluoromethoxy)-1H-pyrazol-4-yl]methanol is sourced from PubChem (CID 54298978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).