3-chloro-2-(3,4-dimethylpyrazol-1-yl)aniline

C11H12ClN3 — CID 154882278

IUPAC3-chloro-2-(3,4-dimethylpyrazol-1-yl)aniline
SMILESCc1cn(-c2c(N)cccc2Cl)nc1C
InChIInChI=1S/C11H12ClN3/c1-7-6-15(14-8(7)2)11-9(12)4-3-5-10(11)13/h3-6H,13H2,1-2H3
InChIKeyNTEOGWDIHBVAQH-UHFFFAOYSA-N
MW221.69 g/mol
LogP2.72
Rot. Bonds1

About 3-chloro-2-(3,4-dimethylpyrazol-1-yl)aniline

3-chloro-2-(3,4-dimethylpyrazol-1-yl)aniline (PubChem CID 154882278) has the molecular formula C11H12ClN3 and a molecular weight of 221.69 g/mol. Its IUPAC name is 3-chloro-2-(3,4-dimethylpyrazol-1-yl)aniline.

Molecular Properties

Compound Name3-chloro-2-(3,4-dimethylpyrazol-1-yl)aniline
PubChem CID154882278
Molecular FormulaC11H12ClN3
Molecular Weight221.69 g/mol
Exact Mass221.07
IUPAC Name3-chloro-2-(3,4-dimethylpyrazol-1-yl)aniline
SMILESCc1cn(-c2c(N)cccc2Cl)nc1C
InChIInChI=1S/C11H12ClN3/c1-7-6-15(14-8(7)2)11-9(12)4-3-5-10(11)13/h3-6H,13H2,1-2H3
InChIKeyNTEOGWDIHBVAQH-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'}

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Related Compounds

1-(2-chloro-6-nitrophenyl)-4-methylpyrazol-3-amine
CID 102943145
1-(2,6-dichlorophenyl)-4-[4-(3,4-dimethylpyrazol-1-yl)anilino]pyrazole-3-carboxamide
CID 162440267
2-(4-chloro-3-methylpyrazol-1-yl)-6-methylaniline
CID 86676843
3-chloro-2-pyrrol-1-ylaniline
CID 166437360
3-chloro-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]aniline
CID 19624453
2-(2,6-dichlorophenyl)-5,7-dimethylpyrazolo[4,3-c]pyridin-5-ium
CID 123570809
2-[1-(2,6-dichlorophenyl)tetrazol-5-yl]-3-methylaniline
CID 65499080
2-(4-chloro-3-methylpyrazol-1-yl)-N'-hydroxy-3-methylbenzenecarboximidamide
CID 107109578
3-chloro-2-piperidin-1-ylaniline;dihydrochloride
CID 53412034
4-bromo-2-(2,6-dichlorophenyl)-7-methylpyrazolo[4,3-c]pyridine
CID 86697074
3-chloro-2-(4-propyl-1,2,4-triazol-3-yl)aniline
CID 63724131
2-(3-amino-4-chloropyrazol-1-yl)-3-methylbenzonitrile
CID 107111617

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(3,4-dimethylpyrazol-1-yl)aniline?
The IUPAC name of 3-chloro-2-(3,4-dimethylpyrazol-1-yl)aniline (CID 154882278) is 3-chloro-2-(3,4-dimethylpyrazol-1-yl)aniline.
What is the SMILES notation for 3-chloro-2-(3,4-dimethylpyrazol-1-yl)aniline?
The canonical SMILES for 3-chloro-2-(3,4-dimethylpyrazol-1-yl)aniline is Cc1cn(-c2c(N)cccc2Cl)nc1C.
What is the InChIKey of 3-chloro-2-(3,4-dimethylpyrazol-1-yl)aniline?
The InChIKey is NTEOGWDIHBVAQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3/c1-7-6-15(14-8(7)2)11-9(12)4-3-5-10(11)13/h3-6H,13H2,1-2H3.
What are the key properties of 3-chloro-2-(3,4-dimethylpyrazol-1-yl)aniline?
3-chloro-2-(3,4-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 3-chloro-2-(3,4-dimethylpyrazol-1-yl)aniline is sourced from PubChem (CID 154882278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).