2-(4-chloro-3-methylpyrazol-1-yl)-6-methylaniline

C11H12ClN3 — CID 86676843

IUPAC2-(4-chloro-3-methylpyrazol-1-yl)-6-methylaniline
SMILESCc1cccc(-n2cc(Cl)c(C)n2)c1N
InChIInChI=1S/C11H12ClN3/c1-7-4-3-5-10(11(7)13)15-6-9(12)8(2)14-15/h3-6H,13H2,1-2H3
InChIKeyLRFJYBPEZRGWHQ-UHFFFAOYSA-N
MW221.69 g/mol
LogP2.72
Rot. Bonds1

About 2-(4-chloro-3-methylpyrazol-1-yl)-6-methylaniline

2-(4-chloro-3-methylpyrazol-1-yl)-6-methylaniline (PubChem CID 86676843) has the molecular formula C11H12ClN3 and a molecular weight of 221.69 g/mol. Its IUPAC name is 2-(4-chloro-3-methylpyrazol-1-yl)-6-methylaniline.

Molecular Properties

Compound Name2-(4-chloro-3-methylpyrazol-1-yl)-6-methylaniline
PubChem CID86676843
Molecular FormulaC11H12ClN3
Molecular Weight221.69 g/mol
Exact Mass221.07
IUPAC Name2-(4-chloro-3-methylpyrazol-1-yl)-6-methylaniline
SMILESCc1cccc(-n2cc(Cl)c(C)n2)c1N
InChIInChI=1S/C11H12ClN3/c1-7-4-3-5-10(11(7)13)15-6-9(12)8(2)14-15/h3-6H,13H2,1-2H3
InChIKeyLRFJYBPEZRGWHQ-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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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylpyrazol-1-yl)-6-methylaniline?
The IUPAC name of 2-(4-chloro-3-methylpyrazol-1-yl)-6-methylaniline (CID 86676843) is 2-(4-chloro-3-methylpyrazol-1-yl)-6-methylaniline.
What is the SMILES notation for 2-(4-chloro-3-methylpyrazol-1-yl)-6-methylaniline?
The canonical SMILES for 2-(4-chloro-3-methylpyrazol-1-yl)-6-methylaniline is Cc1cccc(-n2cc(Cl)c(C)n2)c1N.
What is the InChIKey of 2-(4-chloro-3-methylpyrazol-1-yl)-6-methylaniline?
The InChIKey is LRFJYBPEZRGWHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3/c1-7-4-3-5-10(11(7)13)15-6-9(12)8(2)14-15/h3-6H,13H2,1-2H3.
What are the key properties of 2-(4-chloro-3-methylpyrazol-1-yl)-6-methylaniline?
2-(4-chloro-3-methylpyrazol-1-yl)-6-methylaniline 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-(4-chloro-3-methylpyrazol-1-yl)-6-methylaniline is sourced from PubChem (CID 86676843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).