4-(methylamino)-N-(3-pyrazol-1-ylpropyl)butanamide

C11H20N4O — CID 115738303

IUPAC4-(methylamino)-N-(3-pyrazol-1-ylpropyl)butanamide
SMILESCNCCCC(=O)NCCCn1cccn1
InChIInChI=1S/C11H20N4O/c1-12-6-2-5-11(16)13-7-3-9-15-10-4-8-14-15/h4,8,10,12H,2-3,5-7,9H2,1H3,(H,13,16)
InChIKeyOEXZNSVGVVTFHI-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.39
Rot. Bonds8

About 4-(methylamino)-N-(3-pyrazol-1-ylpropyl)butanamide

4-(methylamino)-N-(3-pyrazol-1-ylpropyl)butanamide (PubChem CID 115738303) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 4-(methylamino)-N-(3-pyrazol-1-ylpropyl)butanamide.

Molecular Properties

Compound Name4-(methylamino)-N-(3-pyrazol-1-ylpropyl)butanamide
PubChem CID115738303
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name4-(methylamino)-N-(3-pyrazol-1-ylpropyl)butanamide
SMILESCNCCCC(=O)NCCCn1cccn1
InChIInChI=1S/C11H20N4O/c1-12-6-2-5-11(16)13-7-3-9-15-10-4-8-14-15/h4,8,10,12H,2-3,5-7,9H2,1H3,(H,13,16)
InChIKeyOEXZNSVGVVTFHI-UHFFFAOYSA-N
XLogP0.39
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(3-pyrazol-1-ylpropyl)butanamide;hydrochloride
CID 119281865
7-amino-N-(3-pyrazol-1-ylpropyl)heptanamide;hydrochloride
CID 119709906
4-(4-methoxyphenoxy)-N-(3-pyrazol-1-ylpropyl)butanamide
CID 37394128
3-methyl-N-(3-pyrazol-1-ylpropyl)butanamide
CID 51077805
2-(tert-butylamino)-N-(3-pyrazol-1-ylpropyl)acetamide
CID 112685077
4-amino-3-methoxy-N-(3-pyrazol-1-ylpropyl)butanamide
CID 103156610
2-(2-methoxyethylamino)-N-(3-pyrazol-1-ylpropyl)acetamide;hydrochloride
CID 119709927
2-(1-hydroxycyclohexyl)-N-(3-pyrazol-1-ylpropyl)acetamide
CID 111432305
2-(4-methylphenoxy)-N-(3-pyrazol-1-ylpropyl)acetamide
CID 47025675
4-oxo-4-(2-pyrazol-1-ylethylamino)butanoic acid
CID 61460027
2-methyl-3-pyrazol-1-yl-N-(3-pyrazol-1-ylpropyl)propanamide
CID 131920894
tert-butyl N-(3-pyrazol-1-ylpropyl)carbamate
CID 69176267

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-N-(3-pyrazol-1-ylpropyl)butanamide?
The IUPAC name of 4-(methylamino)-N-(3-pyrazol-1-ylpropyl)butanamide (CID 115738303) is 4-(methylamino)-N-(3-pyrazol-1-ylpropyl)butanamide.
What is the SMILES notation for 4-(methylamino)-N-(3-pyrazol-1-ylpropyl)butanamide?
The canonical SMILES for 4-(methylamino)-N-(3-pyrazol-1-ylpropyl)butanamide is CNCCCC(=O)NCCCn1cccn1.
What is the InChIKey of 4-(methylamino)-N-(3-pyrazol-1-ylpropyl)butanamide?
The InChIKey is OEXZNSVGVVTFHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-12-6-2-5-11(16)13-7-3-9-15-10-4-8-14-15/h4,8,10,12H,2-3,5-7,9H2,1H3,(H,13,16).
What are the key properties of 4-(methylamino)-N-(3-pyrazol-1-ylpropyl)butanamide?
4-(methylamino)-N-(3-pyrazol-1-ylpropyl)butanamide has a molecular weight of 224.31 g/mol, XLogP of 0.39, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-N-(3-pyrazol-1-ylpropyl)butanamide is sourced from PubChem (CID 115738303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).