1-[(4-chloro-2-fluorophenyl)methyl]pyrazol-4-ol

C10H8ClFN2O — CID 114863612

IUPAC1-[(4-chloro-2-fluorophenyl)methyl]pyrazol-4-ol
SMILESOc1cnn(Cc2ccc(Cl)cc2F)c1
InChIInChI=1S/C10H8ClFN2O/c11-8-2-1-7(10(12)3-8)5-14-6-9(15)4-13-14/h1-4,6,15H,5H2
InChIKeyQEHCPPIFZZKHMY-UHFFFAOYSA-N
MW226.64 g/mol
LogP2.43
Rot. Bonds2

About 1-[(4-chloro-2-fluorophenyl)methyl]pyrazol-4-ol

1-[(4-chloro-2-fluorophenyl)methyl]pyrazol-4-ol (PubChem CID 114863612) has the molecular formula C10H8ClFN2O and a molecular weight of 226.64 g/mol. Its IUPAC name is 1-[(4-chloro-2-fluorophenyl)methyl]pyrazol-4-ol.

Molecular Properties

Compound Name1-[(4-chloro-2-fluorophenyl)methyl]pyrazol-4-ol
PubChem CID114863612
Molecular FormulaC10H8ClFN2O
Molecular Weight226.64 g/mol
Exact Mass226.03
IUPAC Name1-[(4-chloro-2-fluorophenyl)methyl]pyrazol-4-ol
SMILESOc1cnn(Cc2ccc(Cl)cc2F)c1
InChIInChI=1S/C10H8ClFN2O/c11-8-2-1-7(10(12)3-8)5-14-6-9(15)4-13-14/h1-4,6,15H,5H2
InChIKeyQEHCPPIFZZKHMY-UHFFFAOYSA-N
XLogP2.43
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.64
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(4-chloro-2-fluorophenyl)methyl]pyrazol-4-ol 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-[(4-chloro-2-fluorophenyl)methyl]pyrazol-4-ol?
The IUPAC name of 1-[(4-chloro-2-fluorophenyl)methyl]pyrazol-4-ol (CID 114863612) is 1-[(4-chloro-2-fluorophenyl)methyl]pyrazol-4-ol.
What is the SMILES notation for 1-[(4-chloro-2-fluorophenyl)methyl]pyrazol-4-ol?
The canonical SMILES for 1-[(4-chloro-2-fluorophenyl)methyl]pyrazol-4-ol is Oc1cnn(Cc2ccc(Cl)cc2F)c1.
What is the InChIKey of 1-[(4-chloro-2-fluorophenyl)methyl]pyrazol-4-ol?
The InChIKey is QEHCPPIFZZKHMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFN2O/c11-8-2-1-7(10(12)3-8)5-14-6-9(15)4-13-14/h1-4,6,15H,5H2.
What are the key properties of 1-[(4-chloro-2-fluorophenyl)methyl]pyrazol-4-ol?
1-[(4-chloro-2-fluorophenyl)methyl]pyrazol-4-ol has a molecular weight of 226.64 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chloro-2-fluorophenyl)methyl]pyrazol-4-ol is sourced from PubChem (CID 114863612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).