3-(2-ethylpyrazol-3-yl)-5-methylaniline

C12H15N3 — CID 107579556

IUPAC3-(2-ethylpyrazol-3-yl)-5-methylaniline
SMILESCCn1nccc1-c1cc(C)cc(N)c1
InChIInChI=1S/C12H15N3/c1-3-15-12(4-5-14-15)10-6-9(2)7-11(13)8-10/h4-8H,3,13H2,1-2H3
InChIKeyAAQIDLQGJAUMEZ-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.46
Rot. Bonds2

About 3-(2-ethylpyrazol-3-yl)-5-methylaniline

3-(2-ethylpyrazol-3-yl)-5-methylaniline (PubChem CID 107579556) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 3-(2-ethylpyrazol-3-yl)-5-methylaniline.

Molecular Properties

Compound Name3-(2-ethylpyrazol-3-yl)-5-methylaniline
PubChem CID107579556
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC Name3-(2-ethylpyrazol-3-yl)-5-methylaniline
SMILESCCn1nccc1-c1cc(C)cc(N)c1
InChIInChI=1S/C12H15N3/c1-3-15-12(4-5-14-15)10-6-9(2)7-11(13)8-10/h4-8H,3,13H2,1-2H3
InChIKeyAAQIDLQGJAUMEZ-UHFFFAOYSA-N
XLogP2.46
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.46
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-chloro-5-(2-ethylpyrazol-3-yl)aniline
CID 63977148
5-(3,5-dimethylphenyl)-3-[3-(2-ethylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole
CID 53138557
4-(2-ethylpyrazol-3-yl)-2-fluoroaniline
CID 63974391
2-(2-ethylpyrazol-3-yl)aniline
CID 63976936
4-(2-ethylpyrazol-3-yl)-1H-pyrazol-5-amine
CID 136509783
2-[5-(3-methylphenyl)pyrazol-1-yl]ethanamine
CID 84776411
1-(3,5-dimethylphenyl)-2-(5-pyridin-4-ylpyrazol-1-yl)ethanol
CID 109411937
3-(1-butyltetrazol-5-yl)-5-methylaniline
CID 113396325
3-(1-ethyl-3-methylpyrazol-4-yl)-5-methylaniline
CID 107579812
3-(3,4-dichlorophenyl)-5-methylaniline
CID 107579512
6-tert-butyl-2-(2-ethylpyrazol-3-yl)pyrimidin-4-amine
CID 114557312
3-(2-ethylpyrazol-3-yl)-4-methylbenzaldehyde
CID 105408142

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylpyrazol-3-yl)-5-methylaniline?
The IUPAC name of 3-(2-ethylpyrazol-3-yl)-5-methylaniline (CID 107579556) is 3-(2-ethylpyrazol-3-yl)-5-methylaniline.
What is the SMILES notation for 3-(2-ethylpyrazol-3-yl)-5-methylaniline?
The canonical SMILES for 3-(2-ethylpyrazol-3-yl)-5-methylaniline is CCn1nccc1-c1cc(C)cc(N)c1.
What is the InChIKey of 3-(2-ethylpyrazol-3-yl)-5-methylaniline?
The InChIKey is AAQIDLQGJAUMEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3/c1-3-15-12(4-5-14-15)10-6-9(2)7-11(13)8-10/h4-8H,3,13H2,1-2H3.
What are the key properties of 3-(2-ethylpyrazol-3-yl)-5-methylaniline?
3-(2-ethylpyrazol-3-yl)-5-methylaniline has a molecular weight of 201.27 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylpyrazol-3-yl)-5-methylaniline is sourced from PubChem (CID 107579556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).