4-amino-3-methoxy-N-(3-pyrazol-1-ylpropyl)butanamide

C11H20N4O2 — CID 103156610

IUPAC4-amino-3-methoxy-N-(3-pyrazol-1-ylpropyl)butanamide
SMILESCOC(CN)CC(=O)NCCCn1cccn1
InChIInChI=1S/C11H20N4O2/c1-17-10(9-12)8-11(16)13-4-2-6-15-7-3-5-14-15/h3,5,7,10H,2,4,6,8-9,12H2,1H3,(H,13,16)
InChIKeySEOXJYMRLLVNKA-UHFFFAOYSA-N
MW240.31 g/mol
LogP-0.25
Rot. Bonds8

About 4-amino-3-methoxy-N-(3-pyrazol-1-ylpropyl)butanamide

4-amino-3-methoxy-N-(3-pyrazol-1-ylpropyl)butanamide (PubChem CID 103156610) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 4-amino-3-methoxy-N-(3-pyrazol-1-ylpropyl)butanamide.

Molecular Properties

Compound Name4-amino-3-methoxy-N-(3-pyrazol-1-ylpropyl)butanamide
PubChem CID103156610
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name4-amino-3-methoxy-N-(3-pyrazol-1-ylpropyl)butanamide
SMILESCOC(CN)CC(=O)NCCCn1cccn1
InChIInChI=1S/C11H20N4O2/c1-17-10(9-12)8-11(16)13-4-2-6-15-7-3-5-14-15/h3,5,7,10H,2,4,6,8-9,12H2,1H3,(H,13,16)
InChIKeySEOXJYMRLLVNKA-UHFFFAOYSA-N
XLogP-0.25
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-N-(3-pyrazol-1-ylpropyl)butanamide
CID 51077805
4-amino-3-methoxy-N-(2-methyl-3-pyrazol-1-ylpropyl)butanamide;hydrochloride
CID 120589326
3-methoxy-4-(3-pyrazol-1-ylpropylcarbamoylamino)butanoic acid
CID 103159909
4-(methylamino)-N-(3-pyrazol-1-ylpropyl)butanamide
CID 115738303
4-amino-N-(3-pyrazol-1-ylpropyl)butanamide;hydrochloride
CID 119281865
2-(2-methoxyethylamino)-N-(3-pyrazol-1-ylpropyl)acetamide;hydrochloride
CID 119709927
4-amino-N-(2-imidazol-1-ylethyl)-3-methoxybutanamide
CID 103155624
7-amino-N-(3-pyrazol-1-ylpropyl)heptanamide;hydrochloride
CID 119709906
4-amino-N-[3-(4-benzylpiperazin-1-yl)propyl]-3-methoxybutanamide
CID 120597571
2-(tert-butylamino)-N-(3-pyrazol-1-ylpropyl)acetamide
CID 112685077
4-amino-N-[3-(benzimidazol-1-yl)propyl]-3-methoxybutanamide;dihydrochloride
CID 120594808
tert-butyl N-(3-pyrazol-1-ylpropyl)carbamate
CID 69176267

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-N-(3-pyrazol-1-ylpropyl)butanamide?
The IUPAC name of 4-amino-3-methoxy-N-(3-pyrazol-1-ylpropyl)butanamide (CID 103156610) is 4-amino-3-methoxy-N-(3-pyrazol-1-ylpropyl)butanamide.
What is the SMILES notation for 4-amino-3-methoxy-N-(3-pyrazol-1-ylpropyl)butanamide?
The canonical SMILES for 4-amino-3-methoxy-N-(3-pyrazol-1-ylpropyl)butanamide is COC(CN)CC(=O)NCCCn1cccn1.
What is the InChIKey of 4-amino-3-methoxy-N-(3-pyrazol-1-ylpropyl)butanamide?
The InChIKey is SEOXJYMRLLVNKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-17-10(9-12)8-11(16)13-4-2-6-15-7-3-5-14-15/h3,5,7,10H,2,4,6,8-9,12H2,1H3,(H,13,16).
What are the key properties of 4-amino-3-methoxy-N-(3-pyrazol-1-ylpropyl)butanamide?
4-amino-3-methoxy-N-(3-pyrazol-1-ylpropyl)butanamide has a molecular weight of 240.31 g/mol, XLogP of -0.25, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methoxy-N-(3-pyrazol-1-ylpropyl)butanamide is sourced from PubChem (CID 103156610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).