4-(3-chlorophenyl)-1-(4-ethoxyphenyl)pyrazole

C17H15ClN2O — CID 107958442

IUPAC4-(3-chlorophenyl)-1-(4-ethoxyphenyl)pyrazole
SMILESCCOc1ccc(-n2cc(-c3cccc(Cl)c3)cn2)cc1
InChIInChI=1S/C17H15ClN2O/c1-2-21-17-8-6-16(7-9-17)20-12-14(11-19-20)13-4-3-5-15(18)10-13/h3-12H,2H2,1H3
InChIKeySBHSAXGMAZPCRW-UHFFFAOYSA-N
MW298.77 g/mol
LogP4.59
Rot. Bonds4

About 4-(3-chlorophenyl)-1-(4-ethoxyphenyl)pyrazole

4-(3-chlorophenyl)-1-(4-ethoxyphenyl)pyrazole (PubChem CID 107958442) has the molecular formula C17H15ClN2O and a molecular weight of 298.77 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-1-(4-ethoxyphenyl)pyrazole.

Molecular Properties

Compound Name4-(3-chlorophenyl)-1-(4-ethoxyphenyl)pyrazole
PubChem CID107958442
Molecular FormulaC17H15ClN2O
Molecular Weight298.77 g/mol
Exact Mass298.09
IUPAC Name4-(3-chlorophenyl)-1-(4-ethoxyphenyl)pyrazole
SMILESCCOc1ccc(-n2cc(-c3cccc(Cl)c3)cn2)cc1
InChIInChI=1S/C17H15ClN2O/c1-2-21-17-8-6-16(7-9-17)20-12-14(11-19-20)13-4-3-5-15(18)10-13/h3-12H,2H2,1H3
InChIKeySBHSAXGMAZPCRW-UHFFFAOYSA-N
XLogP4.59
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(3-chlorophenyl)-1-(4-ethoxyphenyl)pyrazole 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 4-(3-chlorophenyl)-1-(4-ethoxyphenyl)pyrazole?
The IUPAC name of 4-(3-chlorophenyl)-1-(4-ethoxyphenyl)pyrazole (CID 107958442) is 4-(3-chlorophenyl)-1-(4-ethoxyphenyl)pyrazole.
What is the SMILES notation for 4-(3-chlorophenyl)-1-(4-ethoxyphenyl)pyrazole?
The canonical SMILES for 4-(3-chlorophenyl)-1-(4-ethoxyphenyl)pyrazole is CCOc1ccc(-n2cc(-c3cccc(Cl)c3)cn2)cc1.
What is the InChIKey of 4-(3-chlorophenyl)-1-(4-ethoxyphenyl)pyrazole?
The InChIKey is SBHSAXGMAZPCRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O/c1-2-21-17-8-6-16(7-9-17)20-12-14(11-19-20)13-4-3-5-15(18)10-13/h3-12H,2H2,1H3.
What are the key properties of 4-(3-chlorophenyl)-1-(4-ethoxyphenyl)pyrazole?
4-(3-chlorophenyl)-1-(4-ethoxyphenyl)pyrazole has a molecular weight of 298.77 g/mol, XLogP of 4.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-1-(4-ethoxyphenyl)pyrazole is sourced from PubChem (CID 107958442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).