2,3-dimethyl-N-(2-pyrazol-1-ylethyl)aniline

C13H17N3 — CID 61491576

IUPAC2,3-dimethyl-N-(2-pyrazol-1-ylethyl)aniline
SMILESCc1cccc(NCCn2cccn2)c1C
InChIInChI=1S/C13H17N3/c1-11-5-3-6-13(12(11)2)14-8-10-16-9-4-7-15-16/h3-7,9,14H,8,10H2,1-2H3
InChIKeyDXPOJFOUZYAZGZ-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.61
Rot. Bonds4

About 2,3-dimethyl-N-(2-pyrazol-1-ylethyl)aniline

2,3-dimethyl-N-(2-pyrazol-1-ylethyl)aniline (PubChem CID 61491576) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 2,3-dimethyl-N-(2-pyrazol-1-ylethyl)aniline.

Molecular Properties

Compound Name2,3-dimethyl-N-(2-pyrazol-1-ylethyl)aniline
PubChem CID61491576
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name2,3-dimethyl-N-(2-pyrazol-1-ylethyl)aniline
SMILESCc1cccc(NCCn2cccn2)c1C
InChIInChI=1S/C13H17N3/c1-11-5-3-6-13(12(11)2)14-8-10-16-9-4-7-15-16/h3-7,9,14H,8,10H2,1-2H3
InChIKeyDXPOJFOUZYAZGZ-UHFFFAOYSA-N
XLogP2.61
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-(2-pyrazol-1-ylethyl)aniline?
The IUPAC name of 2,3-dimethyl-N-(2-pyrazol-1-ylethyl)aniline (CID 61491576) is 2,3-dimethyl-N-(2-pyrazol-1-ylethyl)aniline.
What is the SMILES notation for 2,3-dimethyl-N-(2-pyrazol-1-ylethyl)aniline?
The canonical SMILES for 2,3-dimethyl-N-(2-pyrazol-1-ylethyl)aniline is Cc1cccc(NCCn2cccn2)c1C.
What is the InChIKey of 2,3-dimethyl-N-(2-pyrazol-1-ylethyl)aniline?
The InChIKey is DXPOJFOUZYAZGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-11-5-3-6-13(12(11)2)14-8-10-16-9-4-7-15-16/h3-7,9,14H,8,10H2,1-2H3.
What are the key properties of 2,3-dimethyl-N-(2-pyrazol-1-ylethyl)aniline?
2,3-dimethyl-N-(2-pyrazol-1-ylethyl)aniline has a molecular weight of 215.30 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-(2-pyrazol-1-ylethyl)aniline is sourced from PubChem (CID 61491576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).