2-chloro-5-(3,5-dimethylpyrazol-1-yl)aniline

C11H12ClN3 — CID 82512795

IUPAC2-chloro-5-(3,5-dimethylpyrazol-1-yl)aniline
SMILESCc1cc(C)n(-c2ccc(Cl)c(N)c2)n1
InChIInChI=1S/C11H12ClN3/c1-7-5-8(2)15(14-7)9-3-4-10(12)11(13)6-9/h3-6H,13H2,1-2H3
InChIKeyBQJXYHSUAWYFDX-UHFFFAOYSA-N
MW221.69 g/mol
LogP2.72
Rot. Bonds1

About 2-chloro-5-(3,5-dimethylpyrazol-1-yl)aniline

2-chloro-5-(3,5-dimethylpyrazol-1-yl)aniline (PubChem CID 82512795) has the molecular formula C11H12ClN3 and a molecular weight of 221.69 g/mol. Its IUPAC name is 2-chloro-5-(3,5-dimethylpyrazol-1-yl)aniline.

Molecular Properties

Compound Name2-chloro-5-(3,5-dimethylpyrazol-1-yl)aniline
PubChem CID82512795
Molecular FormulaC11H12ClN3
Molecular Weight221.69 g/mol
Exact Mass221.07
IUPAC Name2-chloro-5-(3,5-dimethylpyrazol-1-yl)aniline
SMILESCc1cc(C)n(-c2ccc(Cl)c(N)c2)n1
InChIInChI=1S/C11H12ClN3/c1-7-5-8(2)15(14-7)9-3-4-10(12)11(13)6-9/h3-6H,13H2,1-2H3
InChIKeyBQJXYHSUAWYFDX-UHFFFAOYSA-N
XLogP2.72
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.69
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-chloro-5-(3,5-dimethylpyrazol-1-yl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-amino-4-(3,5-dimethylpyrazol-1-yl)phenyl]ethanone
CID 104529170
ethyl 2-chloro-5-(3,5-dimethylpyrazol-1-yl)benzoate
CID 50884704
2-chloro-5-(3-methyl-1,2,4-triazol-4-yl)aniline
CID 82512480
2-chloro-5-(3-methyl-1,2,4-triazol-1-yl)aniline
CID 82512472
[4-(3,5-dimethylpyrazol-1-yl)phenyl]-pentafluoro-λ6-sulfane
CID 177419478
4-amino-2-chlorophenol;2-chloro-4-(3,5-dimethylpyrazol-1-yl)phenol;2-chloro-4-hydrazinylphenol
CID 158612608
4-(3,5-dimethylpyrazol-1-yl)benzaldehyde
CID 16640533
1-(3,5-dimethylphenyl)-3,5-dimethylpyrazole
CID 39240351
2-chloro-5-(5-propan-2-yltetrazol-1-yl)aniline
CID 62075182
3,5-dimethyl-1-(4-nitrosophenyl)pyrazole
CID 129109952
4-(5-chloro-3-methylpyrazol-1-yl)aniline;hydrochloride
CID 53433774
3-(3-chloropropoxy)-1-(3,4-dichlorophenyl)-5-methylpyrazole
CID 71503614

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(3,5-dimethylpyrazol-1-yl)aniline?
The IUPAC name of 2-chloro-5-(3,5-dimethylpyrazol-1-yl)aniline (CID 82512795) is 2-chloro-5-(3,5-dimethylpyrazol-1-yl)aniline.
What is the SMILES notation for 2-chloro-5-(3,5-dimethylpyrazol-1-yl)aniline?
The canonical SMILES for 2-chloro-5-(3,5-dimethylpyrazol-1-yl)aniline is Cc1cc(C)n(-c2ccc(Cl)c(N)c2)n1.
What is the InChIKey of 2-chloro-5-(3,5-dimethylpyrazol-1-yl)aniline?
The InChIKey is BQJXYHSUAWYFDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3/c1-7-5-8(2)15(14-7)9-3-4-10(12)11(13)6-9/h3-6H,13H2,1-2H3.
What are the key properties of 2-chloro-5-(3,5-dimethylpyrazol-1-yl)aniline?
2-chloro-5-(3,5-dimethylpyrazol-1-yl)aniline has a molecular weight of 221.69 g/mol, XLogP of 2.72, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(3,5-dimethylpyrazol-1-yl)aniline is sourced from PubChem (CID 82512795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).