2-[4-(5-methylpyrazol-1-yl)phenyl]propan-1-amine

C13H17N3 — CID 117307089

IUPAC2-[4-(5-methylpyrazol-1-yl)phenyl]propan-1-amine
SMILESCc1ccnn1-c1ccc(C(C)CN)cc1
InChIInChI=1S/C13H17N3/c1-10(9-14)12-3-5-13(6-4-12)16-11(2)7-8-15-16/h3-8,10H,9,14H2,1-2H3
InChIKeyIGYAKNJWZOJHKV-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.24
Rot. Bonds3

About 2-[4-(5-methylpyrazol-1-yl)phenyl]propan-1-amine

2-[4-(5-methylpyrazol-1-yl)phenyl]propan-1-amine (PubChem CID 117307089) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 2-[4-(5-methylpyrazol-1-yl)phenyl]propan-1-amine.

Molecular Properties

Compound Name2-[4-(5-methylpyrazol-1-yl)phenyl]propan-1-amine
PubChem CID117307089
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name2-[4-(5-methylpyrazol-1-yl)phenyl]propan-1-amine
SMILESCc1ccnn1-c1ccc(C(C)CN)cc1
InChIInChI=1S/C13H17N3/c1-10(9-14)12-3-5-13(6-4-12)16-11(2)7-8-15-16/h3-8,10H,9,14H2,1-2H3
InChIKeyIGYAKNJWZOJHKV-UHFFFAOYSA-N
XLogP2.24
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 ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-methylpyrazol-1-yl)phenyl]propan-1-amine?
The IUPAC name of 2-[4-(5-methylpyrazol-1-yl)phenyl]propan-1-amine (CID 117307089) is 2-[4-(5-methylpyrazol-1-yl)phenyl]propan-1-amine.
What is the SMILES notation for 2-[4-(5-methylpyrazol-1-yl)phenyl]propan-1-amine?
The canonical SMILES for 2-[4-(5-methylpyrazol-1-yl)phenyl]propan-1-amine is Cc1ccnn1-c1ccc(C(C)CN)cc1.
What is the InChIKey of 2-[4-(5-methylpyrazol-1-yl)phenyl]propan-1-amine?
The InChIKey is IGYAKNJWZOJHKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-10(9-14)12-3-5-13(6-4-12)16-11(2)7-8-15-16/h3-8,10H,9,14H2,1-2H3.
What are the key properties of 2-[4-(5-methylpyrazol-1-yl)phenyl]propan-1-amine?
2-[4-(5-methylpyrazol-1-yl)phenyl]propan-1-amine has a molecular weight of 215.30 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-methylpyrazol-1-yl)phenyl]propan-1-amine is sourced from PubChem (CID 117307089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).