N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2-(2-oxoazepan-1-yl)acetamide

C15H24N4O2 — CID 62038805

IUPACN-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2-(2-oxoazepan-1-yl)acetamide
SMILESCc1[nH]ncc1CCCNC(=O)CN1CCCCCC1=O
InChIInChI=1S/C15H24N4O2/c1-12-13(10-17-18-12)6-5-8-16-14(20)11-19-9-4-2-3-7-15(19)21/h10H,2-9,11H2,1H3,(H,16,20)(H,17,18)
InChIKeyHCUGOJGLGDDFCZ-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.17
Rot. Bonds6

About N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2-(2-oxoazepan-1-yl)acetamide

N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2-(2-oxoazepan-1-yl)acetamide (PubChem CID 62038805) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2-(2-oxoazepan-1-yl)acetamide.

Molecular Properties

Compound NameN-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2-(2-oxoazepan-1-yl)acetamide
PubChem CID62038805
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC NameN-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2-(2-oxoazepan-1-yl)acetamide
SMILESCc1[nH]ncc1CCCNC(=O)CN1CCCCCC1=O
InChIInChI=1S/C15H24N4O2/c1-12-13(10-17-18-12)6-5-8-16-14(20)11-19-9-4-2-3-7-15(19)21/h10H,2-9,11H2,1H3,(H,16,20)(H,17,18)
InChIKeyHCUGOJGLGDDFCZ-UHFFFAOYSA-N
XLogP1.17
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2-(2-oxoazepan-1-yl)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-(5-methyl-1H-pyrazol-4-yl)propyl]-2-(2-oxoazepan-1-yl)acetamide?
The IUPAC name of N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2-(2-oxoazepan-1-yl)acetamide (CID 62038805) is N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2-(2-oxoazepan-1-yl)acetamide.
What is the SMILES notation for N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2-(2-oxoazepan-1-yl)acetamide?
The canonical SMILES for N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2-(2-oxoazepan-1-yl)acetamide is Cc1[nH]ncc1CCCNC(=O)CN1CCCCCC1=O.
What is the InChIKey of N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2-(2-oxoazepan-1-yl)acetamide?
The InChIKey is HCUGOJGLGDDFCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-12-13(10-17-18-12)6-5-8-16-14(20)11-19-9-4-2-3-7-15(19)21/h10H,2-9,11H2,1H3,(H,16,20)(H,17,18).
What are the key properties of N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2-(2-oxoazepan-1-yl)acetamide?
N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2-(2-oxoazepan-1-yl)acetamide has a molecular weight of 292.38 g/mol, XLogP of 1.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2-(2-oxoazepan-1-yl)acetamide is sourced from PubChem (CID 62038805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).