[1-(2,6-difluorophenyl)-4-propan-2-ylpyrazol-5-yl]methanol

C13H14F2N2O — CID 57443262

IUPAC[1-(2,6-difluorophenyl)-4-propan-2-ylpyrazol-5-yl]methanol
SMILESCC(C)c1cnn(-c2c(F)cccc2F)c1CO
InChIInChI=1S/C13H14F2N2O/c1-8(2)9-6-16-17(12(9)7-18)13-10(14)4-3-5-11(13)15/h3-6,8,18H,7H2,1-2H3
InChIKeyQRKFXLZBLSQJOA-UHFFFAOYSA-N
MW252.26 g/mol
LogP2.77
Rot. Bonds3

About [1-(2,6-difluorophenyl)-4-propan-2-ylpyrazol-5-yl]methanol

[1-(2,6-difluorophenyl)-4-propan-2-ylpyrazol-5-yl]methanol (PubChem CID 57443262) has the molecular formula C13H14F2N2O and a molecular weight of 252.26 g/mol. Its IUPAC name is [1-(2,6-difluorophenyl)-4-propan-2-ylpyrazol-5-yl]methanol.

Molecular Properties

Compound Name[1-(2,6-difluorophenyl)-4-propan-2-ylpyrazol-5-yl]methanol
PubChem CID57443262
Molecular FormulaC13H14F2N2O
Molecular Weight252.26 g/mol
Exact Mass252.11
IUPAC Name[1-(2,6-difluorophenyl)-4-propan-2-ylpyrazol-5-yl]methanol
SMILESCC(C)c1cnn(-c2c(F)cccc2F)c1CO
InChIInChI=1S/C13H14F2N2O/c1-8(2)9-6-16-17(12(9)7-18)13-10(14)4-3-5-11(13)15/h3-6,8,18H,7H2,1-2H3
InChIKeyQRKFXLZBLSQJOA-UHFFFAOYSA-N
XLogP2.77
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 ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(2,6-difluorophenyl)-4-propan-2-ylpyrazol-5-yl]methanol?
The IUPAC name of [1-(2,6-difluorophenyl)-4-propan-2-ylpyrazol-5-yl]methanol (CID 57443262) is [1-(2,6-difluorophenyl)-4-propan-2-ylpyrazol-5-yl]methanol.
What is the SMILES notation for [1-(2,6-difluorophenyl)-4-propan-2-ylpyrazol-5-yl]methanol?
The canonical SMILES for [1-(2,6-difluorophenyl)-4-propan-2-ylpyrazol-5-yl]methanol is CC(C)c1cnn(-c2c(F)cccc2F)c1CO.
What is the InChIKey of [1-(2,6-difluorophenyl)-4-propan-2-ylpyrazol-5-yl]methanol?
The InChIKey is QRKFXLZBLSQJOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2O/c1-8(2)9-6-16-17(12(9)7-18)13-10(14)4-3-5-11(13)15/h3-6,8,18H,7H2,1-2H3.
What are the key properties of [1-(2,6-difluorophenyl)-4-propan-2-ylpyrazol-5-yl]methanol?
[1-(2,6-difluorophenyl)-4-propan-2-ylpyrazol-5-yl]methanol has a molecular weight of 252.26 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,6-difluorophenyl)-4-propan-2-ylpyrazol-5-yl]methanol is sourced from PubChem (CID 57443262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).