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

C8H12F2N2O — CID 62732182

IUPAC1-[1-(2,2-difluoroethyl)pyrazol-4-yl]propan-1-ol
SMILESCCC(O)c1cnn(CC(F)F)c1
InChIInChI=1S/C8H12F2N2O/c1-2-7(13)6-3-11-12(4-6)5-8(9)10/h3-4,7-8,13H,2,5H2,1H3
InChIKeyADAMOJCNCJZIMD-UHFFFAOYSA-N
MW190.19 g/mol
LogP1.59
Rot. Bonds4

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

1-[1-(2,2-difluoroethyl)pyrazol-4-yl]propan-1-ol (PubChem CID 62732182) has the molecular formula C8H12F2N2O and a molecular weight of 190.19 g/mol. Its IUPAC name is 1-[1-(2,2-difluoroethyl)pyrazol-4-yl]propan-1-ol.

Molecular Properties

Compound Name1-[1-(2,2-difluoroethyl)pyrazol-4-yl]propan-1-ol
PubChem CID62732182
Molecular FormulaC8H12F2N2O
Molecular Weight190.19 g/mol
Exact Mass190.09
IUPAC Name1-[1-(2,2-difluoroethyl)pyrazol-4-yl]propan-1-ol
SMILESCCC(O)c1cnn(CC(F)F)c1
InChIInChI=1S/C8H12F2N2O/c1-2-7(13)6-3-11-12(4-6)5-8(9)10/h3-4,7-8,13H,2,5H2,1H3
InChIKeyADAMOJCNCJZIMD-UHFFFAOYSA-N
XLogP1.59
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.19
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,2-difluoroethyl)pyrazol-4-yl]propan-1-ol?
The IUPAC name of 1-[1-(2,2-difluoroethyl)pyrazol-4-yl]propan-1-ol (CID 62732182) is 1-[1-(2,2-difluoroethyl)pyrazol-4-yl]propan-1-ol.
What is the SMILES notation for 1-[1-(2,2-difluoroethyl)pyrazol-4-yl]propan-1-ol?
The canonical SMILES for 1-[1-(2,2-difluoroethyl)pyrazol-4-yl]propan-1-ol is CCC(O)c1cnn(CC(F)F)c1.
What is the InChIKey of 1-[1-(2,2-difluoroethyl)pyrazol-4-yl]propan-1-ol?
The InChIKey is ADAMOJCNCJZIMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2N2O/c1-2-7(13)6-3-11-12(4-6)5-8(9)10/h3-4,7-8,13H,2,5H2,1H3.
What are the key properties of 1-[1-(2,2-difluoroethyl)pyrazol-4-yl]propan-1-ol?
1-[1-(2,2-difluoroethyl)pyrazol-4-yl]propan-1-ol has a molecular weight of 190.19 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,2-difluoroethyl)pyrazol-4-yl]propan-1-ol is sourced from PubChem (CID 62732182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).