5-(1-benzofuran-3-yl)-4-(2-chloro-4-fluorophenyl)-1,3-dimethylpyrazole

C19H14ClFN2O — CID 137458545

IUPAC5-(1-benzofuran-3-yl)-4-(2-chloro-4-fluorophenyl)-1,3-dimethylpyrazole
SMILESCc1nn(C)c(-c2coc3ccccc23)c1-c1ccc(F)cc1Cl
InChIInChI=1S/C19H14ClFN2O/c1-11-18(14-8-7-12(21)9-16(14)20)19(23(2)22-11)15-10-24-17-6-4-3-5-13(15)17/h3-10H,1-2H3
InChIKeyMDSFGGSLSBVZAP-UHFFFAOYSA-N
MW340.79 g/mol
LogP5.60
Rot. Bonds2

About 5-(1-benzofuran-3-yl)-4-(2-chloro-4-fluorophenyl)-1,3-dimethylpyrazole

5-(1-benzofuran-3-yl)-4-(2-chloro-4-fluorophenyl)-1,3-dimethylpyrazole (PubChem CID 137458545) has the molecular formula C19H14ClFN2O and a molecular weight of 340.79 g/mol. Its IUPAC name is 5-(1-benzofuran-3-yl)-4-(2-chloro-4-fluorophenyl)-1,3-dimethylpyrazole.

Molecular Properties

Compound Name5-(1-benzofuran-3-yl)-4-(2-chloro-4-fluorophenyl)-1,3-dimethylpyrazole
PubChem CID137458545
Molecular FormulaC19H14ClFN2O
Molecular Weight340.79 g/mol
Exact Mass340.08
IUPAC Name5-(1-benzofuran-3-yl)-4-(2-chloro-4-fluorophenyl)-1,3-dimethylpyrazole
SMILESCc1nn(C)c(-c2coc3ccccc23)c1-c1ccc(F)cc1Cl
InChIInChI=1S/C19H14ClFN2O/c1-11-18(14-8-7-12(21)9-16(14)20)19(23(2)22-11)15-10-24-17-6-4-3-5-13(15)17/h3-10H,1-2H3
InChIKeyMDSFGGSLSBVZAP-UHFFFAOYSA-N
XLogP5.60
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.79
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-(1-benzofuran-3-yl)-4-(2-chloro-4-fluorophenyl)-1,3-dimethylpyrazole 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 5-(1-benzofuran-3-yl)-4-(2-chloro-4-fluorophenyl)-1,3-dimethylpyrazole?
The IUPAC name of 5-(1-benzofuran-3-yl)-4-(2-chloro-4-fluorophenyl)-1,3-dimethylpyrazole (CID 137458545) is 5-(1-benzofuran-3-yl)-4-(2-chloro-4-fluorophenyl)-1,3-dimethylpyrazole.
What is the SMILES notation for 5-(1-benzofuran-3-yl)-4-(2-chloro-4-fluorophenyl)-1,3-dimethylpyrazole?
The canonical SMILES for 5-(1-benzofuran-3-yl)-4-(2-chloro-4-fluorophenyl)-1,3-dimethylpyrazole is Cc1nn(C)c(-c2coc3ccccc23)c1-c1ccc(F)cc1Cl.
What is the InChIKey of 5-(1-benzofuran-3-yl)-4-(2-chloro-4-fluorophenyl)-1,3-dimethylpyrazole?
The InChIKey is MDSFGGSLSBVZAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClFN2O/c1-11-18(14-8-7-12(21)9-16(14)20)19(23(2)22-11)15-10-24-17-6-4-3-5-13(15)17/h3-10H,1-2H3.
What are the key properties of 5-(1-benzofuran-3-yl)-4-(2-chloro-4-fluorophenyl)-1,3-dimethylpyrazole?
5-(1-benzofuran-3-yl)-4-(2-chloro-4-fluorophenyl)-1,3-dimethylpyrazole has a molecular weight of 340.79 g/mol, XLogP of 5.60, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzofuran-3-yl)-4-(2-chloro-4-fluorophenyl)-1,3-dimethylpyrazole is sourced from PubChem (CID 137458545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).