[3-(difluoromethoxy)-1-methylpyrazol-5-yl]methanol

C6H8F2N2O2 — CID 68960590

IUPAC[3-(difluoromethoxy)-1-methylpyrazol-5-yl]methanol
SMILESCn1nc(OC(F)F)cc1CO
InChIInChI=1S/C6H8F2N2O2/c1-10-4(3-11)2-5(9-10)12-6(7)8/h2,6,11H,3H2,1H3
InChIKeyBTSFOFVZPPYPOE-UHFFFAOYSA-N
MW178.14 g/mol
LogP0.51
Rot. Bonds3

About [3-(difluoromethoxy)-1-methylpyrazol-5-yl]methanol

[3-(difluoromethoxy)-1-methylpyrazol-5-yl]methanol (PubChem CID 68960590) has the molecular formula C6H8F2N2O2 and a molecular weight of 178.14 g/mol. Its IUPAC name is [3-(difluoromethoxy)-1-methylpyrazol-5-yl]methanol.

Molecular Properties

Compound Name[3-(difluoromethoxy)-1-methylpyrazol-5-yl]methanol
PubChem CID68960590
Molecular FormulaC6H8F2N2O2
Molecular Weight178.14 g/mol
Exact Mass178.06
IUPAC Name[3-(difluoromethoxy)-1-methylpyrazol-5-yl]methanol
SMILESCn1nc(OC(F)F)cc1CO
InChIInChI=1S/C6H8F2N2O2/c1-10-4(3-11)2-5(9-10)12-6(7)8/h2,6,11H,3H2,1H3
InChIKeyBTSFOFVZPPYPOE-UHFFFAOYSA-N
XLogP0.51
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.14
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(difluoromethoxy)-1-methylpyrazol-5-yl]methanol?
The IUPAC name of [3-(difluoromethoxy)-1-methylpyrazol-5-yl]methanol (CID 68960590) is [3-(difluoromethoxy)-1-methylpyrazol-5-yl]methanol.
What is the SMILES notation for [3-(difluoromethoxy)-1-methylpyrazol-5-yl]methanol?
The canonical SMILES for [3-(difluoromethoxy)-1-methylpyrazol-5-yl]methanol is Cn1nc(OC(F)F)cc1CO.
What is the InChIKey of [3-(difluoromethoxy)-1-methylpyrazol-5-yl]methanol?
The InChIKey is BTSFOFVZPPYPOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2N2O2/c1-10-4(3-11)2-5(9-10)12-6(7)8/h2,6,11H,3H2,1H3.
What are the key properties of [3-(difluoromethoxy)-1-methylpyrazol-5-yl]methanol?
[3-(difluoromethoxy)-1-methylpyrazol-5-yl]methanol has a molecular weight of 178.14 g/mol, XLogP of 0.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(difluoromethoxy)-1-methylpyrazol-5-yl]methanol is sourced from PubChem (CID 68960590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).