1-[1-[(3-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]ethanol

C12H12ClFN2O — CID 103041266

IUPAC1-[1-[(3-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]ethanol
SMILESCC(O)c1cnn(Cc2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C12H12ClFN2O/c1-8(17)10-5-15-16(7-10)6-9-2-3-12(14)11(13)4-9/h2-5,7-8,17H,6H2,1H3
InChIKeyLUMQIZBNHQRROZ-UHFFFAOYSA-N
MW254.69 g/mol
LogP2.78
Rot. Bonds3

About 1-[1-[(3-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]ethanol

1-[1-[(3-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]ethanol (PubChem CID 103041266) has the molecular formula C12H12ClFN2O and a molecular weight of 254.69 g/mol. Its IUPAC name is 1-[1-[(3-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-[(3-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]ethanol
PubChem CID103041266
Molecular FormulaC12H12ClFN2O
Molecular Weight254.69 g/mol
Exact Mass254.06
IUPAC Name1-[1-[(3-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]ethanol
SMILESCC(O)c1cnn(Cc2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C12H12ClFN2O/c1-8(17)10-5-15-16(7-10)6-9-2-3-12(14)11(13)4-9/h2-5,7-8,17H,6H2,1H3
InChIKeyLUMQIZBNHQRROZ-UHFFFAOYSA-N
XLogP2.78
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.69
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[1-[(3-chloro-4-fluorophenyl)methyl]pyrazol-4-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

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]ethanol?
The IUPAC name of 1-[1-[(3-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]ethanol (CID 103041266) is 1-[1-[(3-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]ethanol.
What is the SMILES notation for 1-[1-[(3-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]ethanol?
The canonical SMILES for 1-[1-[(3-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]ethanol is CC(O)c1cnn(Cc2ccc(F)c(Cl)c2)c1.
What is the InChIKey of 1-[1-[(3-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]ethanol?
The InChIKey is LUMQIZBNHQRROZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClFN2O/c1-8(17)10-5-15-16(7-10)6-9-2-3-12(14)11(13)4-9/h2-5,7-8,17H,6H2,1H3.
What are the key properties of 1-[1-[(3-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]ethanol?
1-[1-[(3-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]ethanol has a molecular weight of 254.69 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]ethanol is sourced from PubChem (CID 103041266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).