2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethanamine

C13H17N3 — CID 16769902

IUPAC2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethanamine
SMILESCc1cc(C)n(-c2ccc(CCN)cc2)n1
InChIInChI=1S/C13H17N3/c1-10-9-11(2)16(15-10)13-5-3-12(4-6-13)7-8-14/h3-6,9H,7-8,14H2,1-2H3
InChIKeyLBJNLRDAEIHAJO-UHFFFAOYSA-N
MW215.30 g/mol
LogP1.99
Rot. Bonds3

About 2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethanamine

2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethanamine (PubChem CID 16769902) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethanamine.

Molecular Properties

Compound Name2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethanamine
PubChem CID16769902
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethanamine
SMILESCc1cc(C)n(-c2ccc(CCN)cc2)n1
InChIInChI=1S/C13H17N3/c1-10-9-11(2)16(15-10)13-5-3-12(4-6-13)7-8-14/h3-6,9H,7-8,14H2,1-2H3
InChIKeyLBJNLRDAEIHAJO-UHFFFAOYSA-N
XLogP1.99
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 ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethanamine?
The IUPAC name of 2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethanamine (CID 16769902) is 2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethanamine.
What is the SMILES notation for 2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethanamine?
The canonical SMILES for 2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethanamine is Cc1cc(C)n(-c2ccc(CCN)cc2)n1.
What is the InChIKey of 2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethanamine?
The InChIKey is LBJNLRDAEIHAJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-10-9-11(2)16(15-10)13-5-3-12(4-6-13)7-8-14/h3-6,9H,7-8,14H2,1-2H3.
What are the key properties of 2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethanamine?
2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethanamine has a molecular weight of 215.30 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethanamine is sourced from PubChem (CID 16769902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).