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

C13H14F2N2O — CID 68682250

IUPAC[5-(3,5-difluorophenyl)-4-ethyl-1-methylpyrazol-3-yl]methanol
SMILESCCc1c(CO)nn(C)c1-c1cc(F)cc(F)c1
InChIInChI=1S/C13H14F2N2O/c1-3-11-12(7-18)16-17(2)13(11)8-4-9(14)6-10(15)5-8/h4-6,18H,3,7H2,1-2H3
InChIKeyKZICHBPOQTYPEH-UHFFFAOYSA-N
MW252.26 g/mol
LogP2.42
Rot. Bonds3

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

[5-(3,5-difluorophenyl)-4-ethyl-1-methylpyrazol-3-yl]methanol (PubChem CID 68682250) has the molecular formula C13H14F2N2O and a molecular weight of 252.26 g/mol. Its IUPAC name is [5-(3,5-difluorophenyl)-4-ethyl-1-methylpyrazol-3-yl]methanol.

Molecular Properties

Compound Name[5-(3,5-difluorophenyl)-4-ethyl-1-methylpyrazol-3-yl]methanol
PubChem CID68682250
Molecular FormulaC13H14F2N2O
Molecular Weight252.26 g/mol
Exact Mass252.11
IUPAC Name[5-(3,5-difluorophenyl)-4-ethyl-1-methylpyrazol-3-yl]methanol
SMILESCCc1c(CO)nn(C)c1-c1cc(F)cc(F)c1
InChIInChI=1S/C13H14F2N2O/c1-3-11-12(7-18)16-17(2)13(11)8-4-9(14)6-10(15)5-8/h4-6,18H,3,7H2,1-2H3
InChIKeyKZICHBPOQTYPEH-UHFFFAOYSA-N
XLogP2.42
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.26
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-(3,5-difluorophenyl)-4-ethyl-1-methylpyrazol-3-yl]methanol?
The IUPAC name of [5-(3,5-difluorophenyl)-4-ethyl-1-methylpyrazol-3-yl]methanol (CID 68682250) is [5-(3,5-difluorophenyl)-4-ethyl-1-methylpyrazol-3-yl]methanol.
What is the SMILES notation for [5-(3,5-difluorophenyl)-4-ethyl-1-methylpyrazol-3-yl]methanol?
The canonical SMILES for [5-(3,5-difluorophenyl)-4-ethyl-1-methylpyrazol-3-yl]methanol is CCc1c(CO)nn(C)c1-c1cc(F)cc(F)c1.
What is the InChIKey of [5-(3,5-difluorophenyl)-4-ethyl-1-methylpyrazol-3-yl]methanol?
The InChIKey is KZICHBPOQTYPEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2O/c1-3-11-12(7-18)16-17(2)13(11)8-4-9(14)6-10(15)5-8/h4-6,18H,3,7H2,1-2H3.
What are the key properties of [5-(3,5-difluorophenyl)-4-ethyl-1-methylpyrazol-3-yl]methanol?
[5-(3,5-difluorophenyl)-4-ethyl-1-methylpyrazol-3-yl]methanol has a molecular weight of 252.26 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3,5-difluorophenyl)-4-ethyl-1-methylpyrazol-3-yl]methanol is sourced from PubChem (CID 68682250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).