[2-(3-aminopropyl)pyrazol-3-yl]-phenylmethanone

C13H15N3O — CID 71090736

IUPAC[2-(3-aminopropyl)pyrazol-3-yl]-phenylmethanone
SMILESNCCCn1nccc1C(=O)c1ccccc1
InChIInChI=1S/C13H15N3O/c14-8-4-10-16-12(7-9-15-16)13(17)11-5-2-1-3-6-11/h1-3,5-7,9H,4,8,10,14H2
InChIKeyVJQQEEOXMSUOAU-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.46
Rot. Bonds5

About [2-(3-aminopropyl)pyrazol-3-yl]-phenylmethanone

[2-(3-aminopropyl)pyrazol-3-yl]-phenylmethanone (PubChem CID 71090736) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is [2-(3-aminopropyl)pyrazol-3-yl]-phenylmethanone.

Molecular Properties

Compound Name[2-(3-aminopropyl)pyrazol-3-yl]-phenylmethanone
PubChem CID71090736
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name[2-(3-aminopropyl)pyrazol-3-yl]-phenylmethanone
SMILESNCCCn1nccc1C(=O)c1ccccc1
InChIInChI=1S/C13H15N3O/c14-8-4-10-16-12(7-9-15-16)13(17)11-5-2-1-3-6-11/h1-3,5-7,9H,4,8,10,14H2
InChIKeyVJQQEEOXMSUOAU-UHFFFAOYSA-N
XLogP1.46
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(3-aminopropyl)pyrazol-3-yl]-phenylmethanone 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 [2-(3-aminopropyl)pyrazol-3-yl]-phenylmethanone?
The IUPAC name of [2-(3-aminopropyl)pyrazol-3-yl]-phenylmethanone (CID 71090736) is [2-(3-aminopropyl)pyrazol-3-yl]-phenylmethanone.
What is the SMILES notation for [2-(3-aminopropyl)pyrazol-3-yl]-phenylmethanone?
The canonical SMILES for [2-(3-aminopropyl)pyrazol-3-yl]-phenylmethanone is NCCCn1nccc1C(=O)c1ccccc1.
What is the InChIKey of [2-(3-aminopropyl)pyrazol-3-yl]-phenylmethanone?
The InChIKey is VJQQEEOXMSUOAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c14-8-4-10-16-12(7-9-15-16)13(17)11-5-2-1-3-6-11/h1-3,5-7,9H,4,8,10,14H2.
What are the key properties of [2-(3-aminopropyl)pyrazol-3-yl]-phenylmethanone?
[2-(3-aminopropyl)pyrazol-3-yl]-phenylmethanone has a molecular weight of 229.28 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-aminopropyl)pyrazol-3-yl]-phenylmethanone is sourced from PubChem (CID 71090736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).