2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]aniline

C13H17N3 — CID 62497089

IUPAC2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]aniline
SMILESCc1cc(C)n(CCc2ccccc2N)n1
InChIInChI=1S/C13H17N3/c1-10-9-11(2)16(15-10)8-7-12-5-3-4-6-13(12)14/h3-6,9H,7-8,14H2,1-2H3
InChIKeyHSSRSIJTJSAXBR-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.32
Rot. Bonds3

About 2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]aniline

2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]aniline (PubChem CID 62497089) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]aniline.

Molecular Properties

Compound Name2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]aniline
PubChem CID62497089
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]aniline
SMILESCc1cc(C)n(CCc2ccccc2N)n1
InChIInChI=1S/C13H17N3/c1-10-9-11(2)16(15-10)8-7-12-5-3-4-6-13(12)14/h3-6,9H,7-8,14H2,1-2H3
InChIKeyHSSRSIJTJSAXBR-UHFFFAOYSA-N
XLogP2.32
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.32
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-[2-(3,5-dimethylpyrazol-1-yl)ethyl]aniline?
The IUPAC name of 2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]aniline (CID 62497089) is 2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]aniline.
What is the SMILES notation for 2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]aniline?
The canonical SMILES for 2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]aniline is Cc1cc(C)n(CCc2ccccc2N)n1.
What is the InChIKey of 2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]aniline?
The InChIKey is HSSRSIJTJSAXBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-10-9-11(2)16(15-10)8-7-12-5-3-4-6-13(12)14/h3-6,9H,7-8,14H2,1-2H3.
What are the key properties of 2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]aniline?
2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]aniline has a molecular weight of 215.30 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]aniline is sourced from PubChem (CID 62497089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).