N-butyl-2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]acetamide

C14H26N4O — CID 115573473

IUPACN-butyl-2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]acetamide
SMILESCCCCNC(=O)CNCCCn1nc(C)cc1C
InChIInChI=1S/C14H26N4O/c1-4-5-8-16-14(19)11-15-7-6-9-18-13(3)10-12(2)17-18/h10,15H,4-9,11H2,1-3H3,(H,16,19)
InChIKeyHQCOPZVXEXUWIH-UHFFFAOYSA-N
MW266.39 g/mol
LogP1.40
Rot. Bonds9

About N-butyl-2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]acetamide

N-butyl-2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]acetamide (PubChem CID 115573473) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is N-butyl-2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]acetamide.

Molecular Properties

Compound NameN-butyl-2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]acetamide
PubChem CID115573473
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC NameN-butyl-2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]acetamide
SMILESCCCCNC(=O)CNCCCn1nc(C)cc1C
InChIInChI=1S/C14H26N4O/c1-4-5-8-16-14(19)11-15-7-6-9-18-13(3)10-12(2)17-18/h10,15H,4-9,11H2,1-3H3,(H,16,19)
InChIKeyHQCOPZVXEXUWIH-UHFFFAOYSA-N
XLogP1.40
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 51.40
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

1-butyl-3-[3-(3,5-dimethylpyrazol-1-yl)propyl]urea
CID 19332430
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-(2-methoxyethylamino)acetamide
CID 115574280
2-[[N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N'-methylcarbamimidoyl]amino]-N-propylacetamide;hydroiodide
CID 111279120
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]pentanamide
CID 71782926
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]octan-1-amine
CID 115573303
2-(cyclopentylamino)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]acetamide
CID 115574328
2-[3-(3,5-dimethylpyrazol-1-yl)propylcarbamoylamino]acetic acid
CID 113363032
N-[2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-2-oxoethyl]adamantane-1-carboxamide
CID 30288555
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylpropanamide
CID 115571202
6-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]hexanamide
CID 115597233
1-N,4-N-bis[3-(3,5-dimethylpyrazol-1-yl)propyl]benzene-1,4-dicarboxamide
CID 43020223
2-(4-bromo-5-methylpyrazol-1-yl)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]acetamide
CID 19517837

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]acetamide?
The IUPAC name of N-butyl-2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]acetamide (CID 115573473) is N-butyl-2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]acetamide.
What is the SMILES notation for N-butyl-2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]acetamide?
The canonical SMILES for N-butyl-2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]acetamide is CCCCNC(=O)CNCCCn1nc(C)cc1C.
What is the InChIKey of N-butyl-2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]acetamide?
The InChIKey is HQCOPZVXEXUWIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-4-5-8-16-14(19)11-15-7-6-9-18-13(3)10-12(2)17-18/h10,15H,4-9,11H2,1-3H3,(H,16,19).
What are the key properties of N-butyl-2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]acetamide?
N-butyl-2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]acetamide has a molecular weight of 266.39 g/mol, XLogP of 1.40, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]acetamide is sourced from PubChem (CID 115573473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).