3,4-dimethyl-5-(1-methylpyrazol-4-yl)aniline

C12H15N3 — CID 165495050

IUPAC3,4-dimethyl-5-(1-methylpyrazol-4-yl)aniline
SMILESCc1cc(N)cc(-c2cnn(C)c2)c1C
InChIInChI=1S/C12H15N3/c1-8-4-11(13)5-12(9(8)2)10-6-14-15(3)7-10/h4-7H,13H2,1-3H3
InChIKeyKQMAXSVVVOJPBR-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.29
Rot. Bonds1

About 3,4-dimethyl-5-(1-methylpyrazol-4-yl)aniline

3,4-dimethyl-5-(1-methylpyrazol-4-yl)aniline (PubChem CID 165495050) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 3,4-dimethyl-5-(1-methylpyrazol-4-yl)aniline.

Molecular Properties

Compound Name3,4-dimethyl-5-(1-methylpyrazol-4-yl)aniline
PubChem CID165495050
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC Name3,4-dimethyl-5-(1-methylpyrazol-4-yl)aniline
SMILESCc1cc(N)cc(-c2cnn(C)c2)c1C
InChIInChI=1S/C12H15N3/c1-8-4-11(13)5-12(9(8)2)10-6-14-15(3)7-10/h4-7H,13H2,1-3H3
InChIKeyKQMAXSVVVOJPBR-UHFFFAOYSA-N
XLogP2.29
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3,4-dimethyl-5-(1-methylpyrazol-4-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

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-5-(1-methylpyrazol-4-yl)aniline?
The IUPAC name of 3,4-dimethyl-5-(1-methylpyrazol-4-yl)aniline (CID 165495050) is 3,4-dimethyl-5-(1-methylpyrazol-4-yl)aniline.
What is the SMILES notation for 3,4-dimethyl-5-(1-methylpyrazol-4-yl)aniline?
The canonical SMILES for 3,4-dimethyl-5-(1-methylpyrazol-4-yl)aniline is Cc1cc(N)cc(-c2cnn(C)c2)c1C.
What is the InChIKey of 3,4-dimethyl-5-(1-methylpyrazol-4-yl)aniline?
The InChIKey is KQMAXSVVVOJPBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3/c1-8-4-11(13)5-12(9(8)2)10-6-14-15(3)7-10/h4-7H,13H2,1-3H3.
What are the key properties of 3,4-dimethyl-5-(1-methylpyrazol-4-yl)aniline?
3,4-dimethyl-5-(1-methylpyrazol-4-yl)aniline has a molecular weight of 201.27 g/mol, XLogP of 2.29, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-5-(1-methylpyrazol-4-yl)aniline is sourced from PubChem (CID 165495050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).