[1-(3,5-difluorophenyl)-3-methylpyrazol-4-yl]methanol

C11H10F2N2O — CID 66777424

IUPAC[1-(3,5-difluorophenyl)-3-methylpyrazol-4-yl]methanol
SMILESCc1nn(-c2cc(F)cc(F)c2)cc1CO
InChIInChI=1S/C11H10F2N2O/c1-7-8(6-16)5-15(14-7)11-3-9(12)2-10(13)4-11/h2-5,16H,6H2,1H3
InChIKeyGVZAMBXJZUQHOT-UHFFFAOYSA-N
MW224.21 g/mol
LogP1.95
Rot. Bonds2

About [1-(3,5-difluorophenyl)-3-methylpyrazol-4-yl]methanol

[1-(3,5-difluorophenyl)-3-methylpyrazol-4-yl]methanol (PubChem CID 66777424) has the molecular formula C11H10F2N2O and a molecular weight of 224.21 g/mol. Its IUPAC name is [1-(3,5-difluorophenyl)-3-methylpyrazol-4-yl]methanol.

Molecular Properties

Compound Name[1-(3,5-difluorophenyl)-3-methylpyrazol-4-yl]methanol
PubChem CID66777424
Molecular FormulaC11H10F2N2O
Molecular Weight224.21 g/mol
Exact Mass224.08
IUPAC Name[1-(3,5-difluorophenyl)-3-methylpyrazol-4-yl]methanol
SMILESCc1nn(-c2cc(F)cc(F)c2)cc1CO
InChIInChI=1S/C11H10F2N2O/c1-7-8(6-16)5-15(14-7)11-3-9(12)2-10(13)4-11/h2-5,16H,6H2,1H3
InChIKeyGVZAMBXJZUQHOT-UHFFFAOYSA-N
XLogP1.95
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.21
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(3,5-difluorophenyl)-3-methylpyrazol-4-yl]methanol?
The IUPAC name of [1-(3,5-difluorophenyl)-3-methylpyrazol-4-yl]methanol (CID 66777424) is [1-(3,5-difluorophenyl)-3-methylpyrazol-4-yl]methanol.
What is the SMILES notation for [1-(3,5-difluorophenyl)-3-methylpyrazol-4-yl]methanol?
The canonical SMILES for [1-(3,5-difluorophenyl)-3-methylpyrazol-4-yl]methanol is Cc1nn(-c2cc(F)cc(F)c2)cc1CO.
What is the InChIKey of [1-(3,5-difluorophenyl)-3-methylpyrazol-4-yl]methanol?
The InChIKey is GVZAMBXJZUQHOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N2O/c1-7-8(6-16)5-15(14-7)11-3-9(12)2-10(13)4-11/h2-5,16H,6H2,1H3.
What are the key properties of [1-(3,5-difluorophenyl)-3-methylpyrazol-4-yl]methanol?
[1-(3,5-difluorophenyl)-3-methylpyrazol-4-yl]methanol has a molecular weight of 224.21 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,5-difluorophenyl)-3-methylpyrazol-4-yl]methanol is sourced from PubChem (CID 66777424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).