N-[3-(4-methylpyrazol-1-yl)propyl]acetamide

C9H15N3O — CID 19328226

IUPACN-[3-(4-methylpyrazol-1-yl)propyl]acetamide
SMILESCC(=O)NCCCn1cc(C)cn1
InChIInChI=1S/C9H15N3O/c1-8-6-11-12(7-8)5-3-4-10-9(2)13/h6-7H,3-5H2,1-2H3,(H,10,13)
InChIKeyJBQSYFKGIITZOK-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.72
Rot. Bonds4

About N-[3-(4-methylpyrazol-1-yl)propyl]acetamide

N-[3-(4-methylpyrazol-1-yl)propyl]acetamide (PubChem CID 19328226) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is N-[3-(4-methylpyrazol-1-yl)propyl]acetamide.

Molecular Properties

Compound NameN-[3-(4-methylpyrazol-1-yl)propyl]acetamide
PubChem CID19328226
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC NameN-[3-(4-methylpyrazol-1-yl)propyl]acetamide
SMILESCC(=O)NCCCn1cc(C)cn1
InChIInChI=1S/C9H15N3O/c1-8-6-11-12(7-8)5-3-4-10-9(2)13/h6-7H,3-5H2,1-2H3,(H,10,13)
InChIKeyJBQSYFKGIITZOK-UHFFFAOYSA-N
XLogP0.72
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[3-(4-methylpyrazol-1-yl)propyl]acetamide 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-[3-(4-methylpyrazol-1-yl)propyl]acetamide?
The IUPAC name of N-[3-(4-methylpyrazol-1-yl)propyl]acetamide (CID 19328226) is N-[3-(4-methylpyrazol-1-yl)propyl]acetamide.
What is the SMILES notation for N-[3-(4-methylpyrazol-1-yl)propyl]acetamide?
The canonical SMILES for N-[3-(4-methylpyrazol-1-yl)propyl]acetamide is CC(=O)NCCCn1cc(C)cn1.
What is the InChIKey of N-[3-(4-methylpyrazol-1-yl)propyl]acetamide?
The InChIKey is JBQSYFKGIITZOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-8-6-11-12(7-8)5-3-4-10-9(2)13/h6-7H,3-5H2,1-2H3,(H,10,13).
What are the key properties of N-[3-(4-methylpyrazol-1-yl)propyl]acetamide?
N-[3-(4-methylpyrazol-1-yl)propyl]acetamide has a molecular weight of 181.24 g/mol, XLogP of 0.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methylpyrazol-1-yl)propyl]acetamide is sourced from PubChem (CID 19328226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).