N-[(1-propan-2-ylpyrazol-4-yl)methyl]pent-4-yn-2-amine

C12H19N3 — CID 103707752

IUPACN-[(1-propan-2-ylpyrazol-4-yl)methyl]pent-4-yn-2-amine
SMILESC#CCC(C)NCc1cnn(C(C)C)c1
InChIInChI=1S/C12H19N3/c1-5-6-11(4)13-7-12-8-14-15(9-12)10(2)3/h1,8-11,13H,6-7H2,2-4H3
InChIKeyJRASWLFCHYOZEO-UHFFFAOYSA-N
MW205.30 g/mol
LogP1.97
Rot. Bonds5

About N-[(1-propan-2-ylpyrazol-4-yl)methyl]pent-4-yn-2-amine

N-[(1-propan-2-ylpyrazol-4-yl)methyl]pent-4-yn-2-amine (PubChem CID 103707752) has the molecular formula C12H19N3 and a molecular weight of 205.30 g/mol. Its IUPAC name is N-[(1-propan-2-ylpyrazol-4-yl)methyl]pent-4-yn-2-amine.

Molecular Properties

Compound NameN-[(1-propan-2-ylpyrazol-4-yl)methyl]pent-4-yn-2-amine
PubChem CID103707752
Molecular FormulaC12H19N3
Molecular Weight205.30 g/mol
Exact Mass205.16
IUPAC NameN-[(1-propan-2-ylpyrazol-4-yl)methyl]pent-4-yn-2-amine
SMILESC#CCC(C)NCc1cnn(C(C)C)c1
InChIInChI=1S/C12H19N3/c1-5-6-11(4)13-7-12-8-14-15(9-12)10(2)3/h1,8-11,13H,6-7H2,2-4H3
InChIKeyJRASWLFCHYOZEO-UHFFFAOYSA-N
XLogP1.97
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(1-propan-2-ylpyrazol-4-yl)methyl]pent-4-yn-2-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-propan-2-ylpyrazol-4-yl)methyl]pent-4-yn-2-amine?
The IUPAC name of N-[(1-propan-2-ylpyrazol-4-yl)methyl]pent-4-yn-2-amine (CID 103707752) is N-[(1-propan-2-ylpyrazol-4-yl)methyl]pent-4-yn-2-amine.
What is the SMILES notation for N-[(1-propan-2-ylpyrazol-4-yl)methyl]pent-4-yn-2-amine?
The canonical SMILES for N-[(1-propan-2-ylpyrazol-4-yl)methyl]pent-4-yn-2-amine is C#CCC(C)NCc1cnn(C(C)C)c1.
What is the InChIKey of N-[(1-propan-2-ylpyrazol-4-yl)methyl]pent-4-yn-2-amine?
The InChIKey is JRASWLFCHYOZEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-5-6-11(4)13-7-12-8-14-15(9-12)10(2)3/h1,8-11,13H,6-7H2,2-4H3.
What are the key properties of N-[(1-propan-2-ylpyrazol-4-yl)methyl]pent-4-yn-2-amine?
N-[(1-propan-2-ylpyrazol-4-yl)methyl]pent-4-yn-2-amine has a molecular weight of 205.30 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-propan-2-ylpyrazol-4-yl)methyl]pent-4-yn-2-amine is sourced from PubChem (CID 103707752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).