(2,5-difluorophenyl)-(2-methylpyrazol-3-yl)methanol

C11H10F2N2O — CID 63960729

IUPAC(2,5-difluorophenyl)-(2-methylpyrazol-3-yl)methanol
SMILESCn1nccc1C(O)c1cc(F)ccc1F
InChIInChI=1S/C11H10F2N2O/c1-15-10(4-5-14-15)11(16)8-6-7(12)2-3-9(8)13/h2-6,11,16H,1H3
InChIKeyLAKFUKHWDXGNPD-UHFFFAOYSA-N
MW224.21 g/mol
LogP1.78
Rot. Bonds2

About (2,5-difluorophenyl)-(2-methylpyrazol-3-yl)methanol

(2,5-difluorophenyl)-(2-methylpyrazol-3-yl)methanol (PubChem CID 63960729) has the molecular formula C11H10F2N2O and a molecular weight of 224.21 g/mol. Its IUPAC name is (2,5-difluorophenyl)-(2-methylpyrazol-3-yl)methanol.

Molecular Properties

Compound Name(2,5-difluorophenyl)-(2-methylpyrazol-3-yl)methanol
PubChem CID63960729
Molecular FormulaC11H10F2N2O
Molecular Weight224.21 g/mol
Exact Mass224.08
IUPAC Name(2,5-difluorophenyl)-(2-methylpyrazol-3-yl)methanol
SMILESCn1nccc1C(O)c1cc(F)ccc1F
InChIInChI=1S/C11H10F2N2O/c1-15-10(4-5-14-15)11(16)8-6-7(12)2-3-9(8)13/h2-6,11,16H,1H3
InChIKeyLAKFUKHWDXGNPD-UHFFFAOYSA-N
XLogP1.78
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 ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,5-difluorophenyl)-(2-methylpyrazol-3-yl)methanol?
The IUPAC name of (2,5-difluorophenyl)-(2-methylpyrazol-3-yl)methanol (CID 63960729) is (2,5-difluorophenyl)-(2-methylpyrazol-3-yl)methanol.
What is the SMILES notation for (2,5-difluorophenyl)-(2-methylpyrazol-3-yl)methanol?
The canonical SMILES for (2,5-difluorophenyl)-(2-methylpyrazol-3-yl)methanol is Cn1nccc1C(O)c1cc(F)ccc1F.
What is the InChIKey of (2,5-difluorophenyl)-(2-methylpyrazol-3-yl)methanol?
The InChIKey is LAKFUKHWDXGNPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N2O/c1-15-10(4-5-14-15)11(16)8-6-7(12)2-3-9(8)13/h2-6,11,16H,1H3.
What are the key properties of (2,5-difluorophenyl)-(2-methylpyrazol-3-yl)methanol?
(2,5-difluorophenyl)-(2-methylpyrazol-3-yl)methanol has a molecular weight of 224.21 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-difluorophenyl)-(2-methylpyrazol-3-yl)methanol is sourced from PubChem (CID 63960729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).