2-(3-aminopyrazol-1-yl)-N,N-dipentylacetamide

C15H28N4O — CID 62113064

IUPAC2-(3-aminopyrazol-1-yl)-N,N-dipentylacetamide
SMILESCCCCCN(CCCCC)C(=O)Cn1ccc(N)n1
InChIInChI=1S/C15H28N4O/c1-3-5-7-10-18(11-8-6-4-2)15(20)13-19-12-9-14(16)17-19/h9,12H,3-8,10-11,13H2,1-2H3,(H2,16,17)
InChIKeyJMRCANPHTKEQOW-UHFFFAOYSA-N
MW280.42 g/mol
LogP2.67
Rot. Bonds10

About 2-(3-aminopyrazol-1-yl)-N,N-dipentylacetamide

2-(3-aminopyrazol-1-yl)-N,N-dipentylacetamide (PubChem CID 62113064) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is 2-(3-aminopyrazol-1-yl)-N,N-dipentylacetamide.

Molecular Properties

Compound Name2-(3-aminopyrazol-1-yl)-N,N-dipentylacetamide
PubChem CID62113064
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC Name2-(3-aminopyrazol-1-yl)-N,N-dipentylacetamide
SMILESCCCCCN(CCCCC)C(=O)Cn1ccc(N)n1
InChIInChI=1S/C15H28N4O/c1-3-5-7-10-18(11-8-6-4-2)15(20)13-19-12-9-14(16)17-19/h9,12H,3-8,10-11,13H2,1-2H3,(H2,16,17)
InChIKeyJMRCANPHTKEQOW-UHFFFAOYSA-N
XLogP2.67
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-aminopyrazol-1-yl)-N-ethyl-N-(2-hydroxyethyl)acetamide
CID 62102871
2-(3-aminopyrazol-1-yl)-N-benzyl-N-propylacetamide
CID 62102852
2-(3-aminopyrazol-1-yl)-N-(cyclopropylmethyl)-N-propylacetamide
CID 55035543
octyl 2-(3-aminopyrazol-1-yl)acetate
CID 62113086
2-(3-aminopyrazol-1-yl)-N-[2-(dimethylamino)ethyl]-N-methylacetamide
CID 63693887
1-[2-[methyl(pentyl)amino]ethyl]pyrazol-3-amine
CID 63318061
N-(2-amino-2-oxoethyl)-2-(3-aminopyrazol-1-yl)-N-methylacetamide
CID 62101394
2-(3-aminopyrazol-1-yl)-N-(2-methoxyethyl)-N-methylacetamide
CID 62113912
2-(3-aminopyrazol-1-yl)-N-hexan-2-ylacetamide
CID 62197855
1-[3-[pentyl(propan-2-yl)amino]propyl]pyrazol-3-amine
CID 63310706
2-(3-aminopyrazol-1-yl)-N-octan-4-ylacetamide
CID 114137891
2-(3-aminopyrazol-1-yl)-N-(cyclopentylmethyl)-N-methylacetamide
CID 63630834

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopyrazol-1-yl)-N,N-dipentylacetamide?
The IUPAC name of 2-(3-aminopyrazol-1-yl)-N,N-dipentylacetamide (CID 62113064) is 2-(3-aminopyrazol-1-yl)-N,N-dipentylacetamide.
What is the SMILES notation for 2-(3-aminopyrazol-1-yl)-N,N-dipentylacetamide?
The canonical SMILES for 2-(3-aminopyrazol-1-yl)-N,N-dipentylacetamide is CCCCCN(CCCCC)C(=O)Cn1ccc(N)n1.
What is the InChIKey of 2-(3-aminopyrazol-1-yl)-N,N-dipentylacetamide?
The InChIKey is JMRCANPHTKEQOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O/c1-3-5-7-10-18(11-8-6-4-2)15(20)13-19-12-9-14(16)17-19/h9,12H,3-8,10-11,13H2,1-2H3,(H2,16,17).
What are the key properties of 2-(3-aminopyrazol-1-yl)-N,N-dipentylacetamide?
2-(3-aminopyrazol-1-yl)-N,N-dipentylacetamide has a molecular weight of 280.42 g/mol, XLogP of 2.67, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopyrazol-1-yl)-N,N-dipentylacetamide is sourced from PubChem (CID 62113064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).