1-[1-(2,4-difluorophenyl)pyrazol-4-yl]propan-1-ol

C12H12F2N2O — CID 134518983

IUPAC1-[1-(2,4-difluorophenyl)pyrazol-4-yl]propan-1-ol
SMILESCCC(O)c1cnn(-c2ccc(F)cc2F)c1
InChIInChI=1S/C12H12F2N2O/c1-2-12(17)8-6-15-16(7-8)11-4-3-9(13)5-10(11)14/h3-7,12,17H,2H2,1H3
InChIKeyLUIXWCLQXWHNAR-UHFFFAOYSA-N
MW238.24 g/mol
LogP2.59
Rot. Bonds3

About 1-[1-(2,4-difluorophenyl)pyrazol-4-yl]propan-1-ol

1-[1-(2,4-difluorophenyl)pyrazol-4-yl]propan-1-ol (PubChem CID 134518983) has the molecular formula C12H12F2N2O and a molecular weight of 238.24 g/mol. Its IUPAC name is 1-[1-(2,4-difluorophenyl)pyrazol-4-yl]propan-1-ol.

Molecular Properties

Compound Name1-[1-(2,4-difluorophenyl)pyrazol-4-yl]propan-1-ol
PubChem CID134518983
Molecular FormulaC12H12F2N2O
Molecular Weight238.24 g/mol
Exact Mass238.09
IUPAC Name1-[1-(2,4-difluorophenyl)pyrazol-4-yl]propan-1-ol
SMILESCCC(O)c1cnn(-c2ccc(F)cc2F)c1
InChIInChI=1S/C12H12F2N2O/c1-2-12(17)8-6-15-16(7-8)11-4-3-9(13)5-10(11)14/h3-7,12,17H,2H2,1H3
InChIKeyLUIXWCLQXWHNAR-UHFFFAOYSA-N
XLogP2.59
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,4-difluorophenyl)pyrazol-4-yl]propan-1-ol?
The IUPAC name of 1-[1-(2,4-difluorophenyl)pyrazol-4-yl]propan-1-ol (CID 134518983) is 1-[1-(2,4-difluorophenyl)pyrazol-4-yl]propan-1-ol.
What is the SMILES notation for 1-[1-(2,4-difluorophenyl)pyrazol-4-yl]propan-1-ol?
The canonical SMILES for 1-[1-(2,4-difluorophenyl)pyrazol-4-yl]propan-1-ol is CCC(O)c1cnn(-c2ccc(F)cc2F)c1.
What is the InChIKey of 1-[1-(2,4-difluorophenyl)pyrazol-4-yl]propan-1-ol?
The InChIKey is LUIXWCLQXWHNAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2O/c1-2-12(17)8-6-15-16(7-8)11-4-3-9(13)5-10(11)14/h3-7,12,17H,2H2,1H3.
What are the key properties of 1-[1-(2,4-difluorophenyl)pyrazol-4-yl]propan-1-ol?
1-[1-(2,4-difluorophenyl)pyrazol-4-yl]propan-1-ol has a molecular weight of 238.24 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,4-difluorophenyl)pyrazol-4-yl]propan-1-ol is sourced from PubChem (CID 134518983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).