3-chloro-4-(2-chloro-4-fluorophenyl)-5-(4-chlorophenyl)-1-methylpyrazole

C16H10Cl3FN2 — CID 66880358

IUPAC3-chloro-4-(2-chloro-4-fluorophenyl)-5-(4-chlorophenyl)-1-methylpyrazole
SMILESCn1nc(Cl)c(-c2ccc(F)cc2Cl)c1-c1ccc(Cl)cc1
InChIInChI=1S/C16H10Cl3FN2/c1-22-15(9-2-4-10(17)5-3-9)14(16(19)21-22)12-7-6-11(20)8-13(12)18/h2-8H,1H3
InChIKeyHDLMFSIWVSMORG-UHFFFAOYSA-N
MW355.63 g/mol
LogP5.85
Rot. Bonds2

About 3-chloro-4-(2-chloro-4-fluorophenyl)-5-(4-chlorophenyl)-1-methylpyrazole

3-chloro-4-(2-chloro-4-fluorophenyl)-5-(4-chlorophenyl)-1-methylpyrazole (PubChem CID 66880358) has the molecular formula C16H10Cl3FN2 and a molecular weight of 355.63 g/mol. Its IUPAC name is 3-chloro-4-(2-chloro-4-fluorophenyl)-5-(4-chlorophenyl)-1-methylpyrazole.

Molecular Properties

Compound Name3-chloro-4-(2-chloro-4-fluorophenyl)-5-(4-chlorophenyl)-1-methylpyrazole
PubChem CID66880358
Molecular FormulaC16H10Cl3FN2
Molecular Weight355.63 g/mol
Exact Mass353.99
IUPAC Name3-chloro-4-(2-chloro-4-fluorophenyl)-5-(4-chlorophenyl)-1-methylpyrazole
SMILESCn1nc(Cl)c(-c2ccc(F)cc2Cl)c1-c1ccc(Cl)cc1
InChIInChI=1S/C16H10Cl3FN2/c1-22-15(9-2-4-10(17)5-3-9)14(16(19)21-22)12-7-6-11(20)8-13(12)18/h2-8H,1H3
InChIKeyHDLMFSIWVSMORG-UHFFFAOYSA-N
XLogP5.85
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.63
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-chloro-4-(2-chloro-4-fluorophenyl)-5-(4-chlorophenyl)-1-methylpyrazole 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-chloro-4-(2-chloro-4-fluorophenyl)-5-(4-chlorophenyl)-1-methylpyrazole?
The IUPAC name of 3-chloro-4-(2-chloro-4-fluorophenyl)-5-(4-chlorophenyl)-1-methylpyrazole (CID 66880358) is 3-chloro-4-(2-chloro-4-fluorophenyl)-5-(4-chlorophenyl)-1-methylpyrazole.
What is the SMILES notation for 3-chloro-4-(2-chloro-4-fluorophenyl)-5-(4-chlorophenyl)-1-methylpyrazole?
The canonical SMILES for 3-chloro-4-(2-chloro-4-fluorophenyl)-5-(4-chlorophenyl)-1-methylpyrazole is Cn1nc(Cl)c(-c2ccc(F)cc2Cl)c1-c1ccc(Cl)cc1.
What is the InChIKey of 3-chloro-4-(2-chloro-4-fluorophenyl)-5-(4-chlorophenyl)-1-methylpyrazole?
The InChIKey is HDLMFSIWVSMORG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl3FN2/c1-22-15(9-2-4-10(17)5-3-9)14(16(19)21-22)12-7-6-11(20)8-13(12)18/h2-8H,1H3.
What are the key properties of 3-chloro-4-(2-chloro-4-fluorophenyl)-5-(4-chlorophenyl)-1-methylpyrazole?
3-chloro-4-(2-chloro-4-fluorophenyl)-5-(4-chlorophenyl)-1-methylpyrazole has a molecular weight of 355.63 g/mol, XLogP of 5.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(2-chloro-4-fluorophenyl)-5-(4-chlorophenyl)-1-methylpyrazole is sourced from PubChem (CID 66880358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).