3-methyl-N-(3-pyrazol-1-ylpropyl)butanamide

C11H19N3O — CID 51077805

IUPAC3-methyl-N-(3-pyrazol-1-ylpropyl)butanamide
SMILESCC(C)CC(=O)NCCCn1cccn1
InChIInChI=1S/C11H19N3O/c1-10(2)9-11(15)12-5-3-7-14-8-4-6-13-14/h4,6,8,10H,3,5,7,9H2,1-2H3,(H,12,15)
InChIKeyWFKCQWMUPMJVFI-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.44
Rot. Bonds6

About 3-methyl-N-(3-pyrazol-1-ylpropyl)butanamide

3-methyl-N-(3-pyrazol-1-ylpropyl)butanamide (PubChem CID 51077805) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 3-methyl-N-(3-pyrazol-1-ylpropyl)butanamide.

Molecular Properties

Compound Name3-methyl-N-(3-pyrazol-1-ylpropyl)butanamide
PubChem CID51077805
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name3-methyl-N-(3-pyrazol-1-ylpropyl)butanamide
SMILESCC(C)CC(=O)NCCCn1cccn1
InChIInChI=1S/C11H19N3O/c1-10(2)9-11(15)12-5-3-7-14-8-4-6-13-14/h4,6,8,10H,3,5,7,9H2,1-2H3,(H,12,15)
InChIKeyWFKCQWMUPMJVFI-UHFFFAOYSA-N
XLogP1.44
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3-methoxy-N-(3-pyrazol-1-ylpropyl)butanamide
CID 103156610
2-methyl-3-pyrazol-1-yl-N-(3-pyrazol-1-ylpropyl)propanamide
CID 131920894
4-(methylamino)-N-(3-pyrazol-1-ylpropyl)butanamide
CID 115738303
2-(tert-butylamino)-N-(3-pyrazol-1-ylpropyl)acetamide
CID 112685077
4-amino-N-(3-pyrazol-1-ylpropyl)butanamide;hydrochloride
CID 119281865
N-propyl-2-(3-pyrazol-1-ylpropylamino)propanamide
CID 113223084
2-(2-methoxyethylamino)-N-(3-pyrazol-1-ylpropyl)acetamide;hydrochloride
CID 119709927
2-(1-hydroxycyclohexyl)-N-(3-pyrazol-1-ylpropyl)acetamide
CID 111432305
2-[methyl(1-phenylethyl)amino]-N-(3-pyrazol-1-ylpropyl)acetamide
CID 60500518
2-[2-methylpropyl(3-pyrazol-1-ylpropylcarbamoyl)amino]acetic acid
CID 103995728
tert-butyl N-(3-pyrazol-1-ylpropyl)carbamate
CID 69176267
5-oxo-5-(3-pyrazol-1-ylpropylamino)-3-thiophen-2-ylpentanoic acid
CID 91953225

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(3-pyrazol-1-ylpropyl)butanamide?
The IUPAC name of 3-methyl-N-(3-pyrazol-1-ylpropyl)butanamide (CID 51077805) is 3-methyl-N-(3-pyrazol-1-ylpropyl)butanamide.
What is the SMILES notation for 3-methyl-N-(3-pyrazol-1-ylpropyl)butanamide?
The canonical SMILES for 3-methyl-N-(3-pyrazol-1-ylpropyl)butanamide is CC(C)CC(=O)NCCCn1cccn1.
What is the InChIKey of 3-methyl-N-(3-pyrazol-1-ylpropyl)butanamide?
The InChIKey is WFKCQWMUPMJVFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-10(2)9-11(15)12-5-3-7-14-8-4-6-13-14/h4,6,8,10H,3,5,7,9H2,1-2H3,(H,12,15).
What are the key properties of 3-methyl-N-(3-pyrazol-1-ylpropyl)butanamide?
3-methyl-N-(3-pyrazol-1-ylpropyl)butanamide has a molecular weight of 209.29 g/mol, XLogP of 1.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(3-pyrazol-1-ylpropyl)butanamide is sourced from PubChem (CID 51077805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).