3-[3-(3-chloro-4-fluorophenyl)-1H-pyrazol-5-yl]propan-1-ol

C12H12ClFN2O — CID 89488409

IUPAC3-[3-(3-chloro-4-fluorophenyl)-1H-pyrazol-5-yl]propan-1-ol
SMILESOCCCc1cc(-c2ccc(F)c(Cl)c2)n[nH]1
InChIInChI=1S/C12H12ClFN2O/c13-10-6-8(3-4-11(10)14)12-7-9(15-16-12)2-1-5-17/h3-4,6-7,17H,1-2,5H2,(H,15,16)
InChIKeyDWFBWCPQGSYMFO-UHFFFAOYSA-N
MW254.69 g/mol
LogP2.79
Rot. Bonds4

About 3-[3-(3-chloro-4-fluorophenyl)-1H-pyrazol-5-yl]propan-1-ol

3-[3-(3-chloro-4-fluorophenyl)-1H-pyrazol-5-yl]propan-1-ol (PubChem CID 89488409) has the molecular formula C12H12ClFN2O and a molecular weight of 254.69 g/mol. Its IUPAC name is 3-[3-(3-chloro-4-fluorophenyl)-1H-pyrazol-5-yl]propan-1-ol.

Molecular Properties

Compound Name3-[3-(3-chloro-4-fluorophenyl)-1H-pyrazol-5-yl]propan-1-ol
PubChem CID89488409
Molecular FormulaC12H12ClFN2O
Molecular Weight254.69 g/mol
Exact Mass254.06
IUPAC Name3-[3-(3-chloro-4-fluorophenyl)-1H-pyrazol-5-yl]propan-1-ol
SMILESOCCCc1cc(-c2ccc(F)c(Cl)c2)n[nH]1
InChIInChI=1S/C12H12ClFN2O/c13-10-6-8(3-4-11(10)14)12-7-9(15-16-12)2-1-5-17/h3-4,6-7,17H,1-2,5H2,(H,15,16)
InChIKeyDWFBWCPQGSYMFO-UHFFFAOYSA-N
XLogP2.79
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.69
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[3-(3-chloro-4-fluorophenyl)-1H-pyrazol-5-yl]propan-1-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 3-[3-(3-chloro-4-fluorophenyl)-1H-pyrazol-5-yl]propan-1-ol?
The IUPAC name of 3-[3-(3-chloro-4-fluorophenyl)-1H-pyrazol-5-yl]propan-1-ol (CID 89488409) is 3-[3-(3-chloro-4-fluorophenyl)-1H-pyrazol-5-yl]propan-1-ol.
What is the SMILES notation for 3-[3-(3-chloro-4-fluorophenyl)-1H-pyrazol-5-yl]propan-1-ol?
The canonical SMILES for 3-[3-(3-chloro-4-fluorophenyl)-1H-pyrazol-5-yl]propan-1-ol is OCCCc1cc(-c2ccc(F)c(Cl)c2)n[nH]1.
What is the InChIKey of 3-[3-(3-chloro-4-fluorophenyl)-1H-pyrazol-5-yl]propan-1-ol?
The InChIKey is DWFBWCPQGSYMFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClFN2O/c13-10-6-8(3-4-11(10)14)12-7-9(15-16-12)2-1-5-17/h3-4,6-7,17H,1-2,5H2,(H,15,16).
What are the key properties of 3-[3-(3-chloro-4-fluorophenyl)-1H-pyrazol-5-yl]propan-1-ol?
3-[3-(3-chloro-4-fluorophenyl)-1H-pyrazol-5-yl]propan-1-ol has a molecular weight of 254.69 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-chloro-4-fluorophenyl)-1H-pyrazol-5-yl]propan-1-ol is sourced from PubChem (CID 89488409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).