3-(4-chloro-1-methylpyrazol-5-yl)-N-(3-chlorophenyl)aniline

C16H13Cl2N3 — CID 10403566

IUPAC3-(4-chloro-1-methylpyrazol-5-yl)-N-(3-chlorophenyl)aniline
SMILESCn1ncc(Cl)c1-c1cccc(Nc2cccc(Cl)c2)c1
InChIInChI=1S/C16H13Cl2N3/c1-21-16(15(18)10-19-21)11-4-2-6-13(8-11)20-14-7-3-5-12(17)9-14/h2-10,20H,1H3
InChIKeyGTCAAFXMMDLIAR-UHFFFAOYSA-N
MW318.21 g/mol
LogP5.14
Rot. Bonds3

About 3-(4-chloro-1-methylpyrazol-5-yl)-N-(3-chlorophenyl)aniline

3-(4-chloro-1-methylpyrazol-5-yl)-N-(3-chlorophenyl)aniline (PubChem CID 10403566) has the molecular formula C16H13Cl2N3 and a molecular weight of 318.21 g/mol. Its IUPAC name is 3-(4-chloro-1-methylpyrazol-5-yl)-N-(3-chlorophenyl)aniline.

Molecular Properties

Compound Name3-(4-chloro-1-methylpyrazol-5-yl)-N-(3-chlorophenyl)aniline
PubChem CID10403566
Molecular FormulaC16H13Cl2N3
Molecular Weight318.21 g/mol
Exact Mass317.05
IUPAC Name3-(4-chloro-1-methylpyrazol-5-yl)-N-(3-chlorophenyl)aniline
SMILESCn1ncc(Cl)c1-c1cccc(Nc2cccc(Cl)c2)c1
InChIInChI=1S/C16H13Cl2N3/c1-21-16(15(18)10-19-21)11-4-2-6-13(8-11)20-14-7-3-5-12(17)9-14/h2-10,20H,1H3
InChIKeyGTCAAFXMMDLIAR-UHFFFAOYSA-N
XLogP5.14
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.21
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(4-chloro-1-methylpyrazol-5-yl)-N-(3-chlorophenyl)aniline 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-(4-chloro-1-methylpyrazol-5-yl)-N-(3-chlorophenyl)aniline?
The IUPAC name of 3-(4-chloro-1-methylpyrazol-5-yl)-N-(3-chlorophenyl)aniline (CID 10403566) is 3-(4-chloro-1-methylpyrazol-5-yl)-N-(3-chlorophenyl)aniline.
What is the SMILES notation for 3-(4-chloro-1-methylpyrazol-5-yl)-N-(3-chlorophenyl)aniline?
The canonical SMILES for 3-(4-chloro-1-methylpyrazol-5-yl)-N-(3-chlorophenyl)aniline is Cn1ncc(Cl)c1-c1cccc(Nc2cccc(Cl)c2)c1.
What is the InChIKey of 3-(4-chloro-1-methylpyrazol-5-yl)-N-(3-chlorophenyl)aniline?
The InChIKey is GTCAAFXMMDLIAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2N3/c1-21-16(15(18)10-19-21)11-4-2-6-13(8-11)20-14-7-3-5-12(17)9-14/h2-10,20H,1H3.
What are the key properties of 3-(4-chloro-1-methylpyrazol-5-yl)-N-(3-chlorophenyl)aniline?
3-(4-chloro-1-methylpyrazol-5-yl)-N-(3-chlorophenyl)aniline has a molecular weight of 318.21 g/mol, XLogP of 5.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-1-methylpyrazol-5-yl)-N-(3-chlorophenyl)aniline is sourced from PubChem (CID 10403566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).