N-[1-(1,5-dimethylpyrazol-3-yl)ethyl]prop-2-yn-1-amine

C10H15N3 — CID 130774810

IUPACN-[1-(1,5-dimethylpyrazol-3-yl)ethyl]prop-2-yn-1-amine
SMILESC#CCNC(C)c1cc(C)n(C)n1
InChIInChI=1S/C10H15N3/c1-5-6-11-9(3)10-7-8(2)13(4)12-10/h1,7,9,11H,6H2,2-4H3
InChIKeyXVKNKVQNATZTFA-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.01
Rot. Bonds3

About N-[1-(1,5-dimethylpyrazol-3-yl)ethyl]prop-2-yn-1-amine

N-[1-(1,5-dimethylpyrazol-3-yl)ethyl]prop-2-yn-1-amine (PubChem CID 130774810) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is N-[1-(1,5-dimethylpyrazol-3-yl)ethyl]prop-2-yn-1-amine.

Molecular Properties

Compound NameN-[1-(1,5-dimethylpyrazol-3-yl)ethyl]prop-2-yn-1-amine
PubChem CID130774810
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC NameN-[1-(1,5-dimethylpyrazol-3-yl)ethyl]prop-2-yn-1-amine
SMILESC#CCNC(C)c1cc(C)n(C)n1
InChIInChI=1S/C10H15N3/c1-5-6-11-9(3)10-7-8(2)13(4)12-10/h1,7,9,11H,6H2,2-4H3
InChIKeyXVKNKVQNATZTFA-UHFFFAOYSA-N
XLogP1.01
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze N-[1-(1,5-dimethylpyrazol-3-yl)ethyl]prop-2-yn-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,5-dimethylpyrazol-3-yl)ethyl]prop-2-yn-1-amine?
The IUPAC name of N-[1-(1,5-dimethylpyrazol-3-yl)ethyl]prop-2-yn-1-amine (CID 130774810) is N-[1-(1,5-dimethylpyrazol-3-yl)ethyl]prop-2-yn-1-amine.
What is the SMILES notation for N-[1-(1,5-dimethylpyrazol-3-yl)ethyl]prop-2-yn-1-amine?
The canonical SMILES for N-[1-(1,5-dimethylpyrazol-3-yl)ethyl]prop-2-yn-1-amine is C#CCNC(C)c1cc(C)n(C)n1.
What is the InChIKey of N-[1-(1,5-dimethylpyrazol-3-yl)ethyl]prop-2-yn-1-amine?
The InChIKey is XVKNKVQNATZTFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3/c1-5-6-11-9(3)10-7-8(2)13(4)12-10/h1,7,9,11H,6H2,2-4H3.
What are the key properties of N-[1-(1,5-dimethylpyrazol-3-yl)ethyl]prop-2-yn-1-amine?
N-[1-(1,5-dimethylpyrazol-3-yl)ethyl]prop-2-yn-1-amine has a molecular weight of 177.25 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,5-dimethylpyrazol-3-yl)ethyl]prop-2-yn-1-amine is sourced from PubChem (CID 130774810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).