3-(1,3-dimethylpyrazol-4-yl)-2-methylaniline

C12H15N3 — CID 107627174

IUPAC3-(1,3-dimethylpyrazol-4-yl)-2-methylaniline
SMILESCc1nn(C)cc1-c1cccc(N)c1C
InChIInChI=1S/C12H15N3/c1-8-10(5-4-6-12(8)13)11-7-15(3)14-9(11)2/h4-7H,13H2,1-3H3
InChIKeyDIJQTXAXQVTKCC-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.29
Rot. Bonds1

About 3-(1,3-dimethylpyrazol-4-yl)-2-methylaniline

3-(1,3-dimethylpyrazol-4-yl)-2-methylaniline (PubChem CID 107627174) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 3-(1,3-dimethylpyrazol-4-yl)-2-methylaniline.

Molecular Properties

Compound Name3-(1,3-dimethylpyrazol-4-yl)-2-methylaniline
PubChem CID107627174
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC Name3-(1,3-dimethylpyrazol-4-yl)-2-methylaniline
SMILESCc1nn(C)cc1-c1cccc(N)c1C
InChIInChI=1S/C12H15N3/c1-8-10(5-4-6-12(8)13)11-7-15(3)14-9(11)2/h4-7H,13H2,1-3H3
InChIKeyDIJQTXAXQVTKCC-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'}

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Related Compounds

2-methyl-3-(3-methyl-1-propan-2-ylpyrazol-4-yl)aniline
CID 107627200
3-(3-amino-2-methylphenyl)-2-methylaniline
CID 15336123
[2-(1,3-dimethylpyrazol-4-yl)phenyl]methanamine
CID 66008481
3-(1,3-dimethylpyrazol-4-yl)benzene-1,2-dicarboxamide
CID 144733159
4-(1,3-dimethylpyrazol-4-yl)-2,3-dihydro-1H-inden-1-amine
CID 114081148
3-(1,3-dimethylpyrazol-4-yl)-4-fluoroaniline
CID 104781282
5-(1,3-dimethylpyrazol-4-yl)-2,3-dimethylimidazol-4-amine
CID 83092115
3-(1,3-dimethylpyrazol-4-yl)-5-methylaniline
CID 107579808
3-[4-(1,3-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]pyridin-2-amine
CID 65197444
3-(1,3-dimethylpyrazol-4-yl)phenol
CID 130752122
3-(1,3-dimethylpyrazol-4-yl)pyrazin-2-amine
CID 112559104
2-chloro-3-[1-(1,3-dimethylpyrazol-4-yl)tetrazol-5-yl]aniline
CID 102807107

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dimethylpyrazol-4-yl)-2-methylaniline?
The IUPAC name of 3-(1,3-dimethylpyrazol-4-yl)-2-methylaniline (CID 107627174) is 3-(1,3-dimethylpyrazol-4-yl)-2-methylaniline.
What is the SMILES notation for 3-(1,3-dimethylpyrazol-4-yl)-2-methylaniline?
The canonical SMILES for 3-(1,3-dimethylpyrazol-4-yl)-2-methylaniline is Cc1nn(C)cc1-c1cccc(N)c1C.
What is the InChIKey of 3-(1,3-dimethylpyrazol-4-yl)-2-methylaniline?
The InChIKey is DIJQTXAXQVTKCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3/c1-8-10(5-4-6-12(8)13)11-7-15(3)14-9(11)2/h4-7H,13H2,1-3H3.
What are the key properties of 3-(1,3-dimethylpyrazol-4-yl)-2-methylaniline?
3-(1,3-dimethylpyrazol-4-yl)-2-methylaniline 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-(1,3-dimethylpyrazol-4-yl)-2-methylaniline is sourced from PubChem (CID 107627174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).