1-(2,3-difluorophenyl)-1-(2-ethylpyrazol-3-yl)ethanol

C13H14F2N2O — CID 114059360

IUPAC1-(2,3-difluorophenyl)-1-(2-ethylpyrazol-3-yl)ethanol
SMILESCCn1nccc1C(C)(O)c1cccc(F)c1F
InChIInChI=1S/C13H14F2N2O/c1-3-17-11(7-8-16-17)13(2,18)9-5-4-6-10(14)12(9)15/h4-8,18H,3H2,1-2H3
InChIKeyYEQWYYBZWBJLTI-UHFFFAOYSA-N
MW252.26 g/mol
LogP2.44
Rot. Bonds3

About 1-(2,3-difluorophenyl)-1-(2-ethylpyrazol-3-yl)ethanol

1-(2,3-difluorophenyl)-1-(2-ethylpyrazol-3-yl)ethanol (PubChem CID 114059360) has the molecular formula C13H14F2N2O and a molecular weight of 252.26 g/mol. Its IUPAC name is 1-(2,3-difluorophenyl)-1-(2-ethylpyrazol-3-yl)ethanol.

Molecular Properties

Compound Name1-(2,3-difluorophenyl)-1-(2-ethylpyrazol-3-yl)ethanol
PubChem CID114059360
Molecular FormulaC13H14F2N2O
Molecular Weight252.26 g/mol
Exact Mass252.11
IUPAC Name1-(2,3-difluorophenyl)-1-(2-ethylpyrazol-3-yl)ethanol
SMILESCCn1nccc1C(C)(O)c1cccc(F)c1F
InChIInChI=1S/C13H14F2N2O/c1-3-17-11(7-8-16-17)13(2,18)9-5-4-6-10(14)12(9)15/h4-8,18H,3H2,1-2H3
InChIKeyYEQWYYBZWBJLTI-UHFFFAOYSA-N
XLogP2.44
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 ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2,3-difluorophenyl)-1-(2-ethylpyrazol-3-yl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-ethylpyrazol-3-yl)-3,3-dimethylbutan-2-ol
CID 115401007
1-(2-chlorophenyl)-1-(2-propylpyrazol-3-yl)ethanol
CID 63975033
2-(2,3-difluorophenyl)propan-2-ol
CID 10487389
1-(2,3-difluorophenyl)-1-(2-methylphenyl)ethanol
CID 63988174
1-(1-benzothiophen-2-yl)-1-(2-ethylpyrazol-3-yl)ethanol
CID 114910961
3-amino-2-(2-ethylpyrazol-3-yl)butan-2-ol
CID 130574269
2-(2,3-difluorophenyl)-1-(2-ethylpyrazol-3-yl)ethanone
CID 114972520
1-(2-fluorophenyl)-2-(2-propylpyrazol-3-yl)propan-2-ol
CID 114832710
4-(2-ethylpyrazol-3-yl)-4-methylpentan-2-ol
CID 64715983
2-(2-ethylpyrazol-3-yl)-2,2-difluoroacetic acid
CID 63977186
N-[(2-ethylpyrazol-3-yl)methyl]-2,3-difluorobenzamide
CID 35520962
1-(5-bromo-3-methyltriazol-4-yl)-1-(2,3-difluorophenyl)ethanol
CID 114059367

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluorophenyl)-1-(2-ethylpyrazol-3-yl)ethanol?
The IUPAC name of 1-(2,3-difluorophenyl)-1-(2-ethylpyrazol-3-yl)ethanol (CID 114059360) is 1-(2,3-difluorophenyl)-1-(2-ethylpyrazol-3-yl)ethanol.
What is the SMILES notation for 1-(2,3-difluorophenyl)-1-(2-ethylpyrazol-3-yl)ethanol?
The canonical SMILES for 1-(2,3-difluorophenyl)-1-(2-ethylpyrazol-3-yl)ethanol is CCn1nccc1C(C)(O)c1cccc(F)c1F.
What is the InChIKey of 1-(2,3-difluorophenyl)-1-(2-ethylpyrazol-3-yl)ethanol?
The InChIKey is YEQWYYBZWBJLTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2O/c1-3-17-11(7-8-16-17)13(2,18)9-5-4-6-10(14)12(9)15/h4-8,18H,3H2,1-2H3.
What are the key properties of 1-(2,3-difluorophenyl)-1-(2-ethylpyrazol-3-yl)ethanol?
1-(2,3-difluorophenyl)-1-(2-ethylpyrazol-3-yl)ethanol has a molecular weight of 252.26 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluorophenyl)-1-(2-ethylpyrazol-3-yl)ethanol is sourced from PubChem (CID 114059360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).