2-(3-aminopyrazol-1-yl)-N-(2-ethylhexyl)acetamide

C13H24N4O — CID 114004545

IUPAC2-(3-aminopyrazol-1-yl)-N-(2-ethylhexyl)acetamide
SMILESCCCCC(CC)CNC(=O)Cn1ccc(N)n1
InChIInChI=1S/C13H24N4O/c1-3-5-6-11(4-2)9-15-13(18)10-17-8-7-12(14)16-17/h7-8,11H,3-6,9-10H2,1-2H3,(H2,14,16)(H,15,18)
InChIKeyYRSXVCOCRMZRQG-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.80
Rot. Bonds8

About 2-(3-aminopyrazol-1-yl)-N-(2-ethylhexyl)acetamide

2-(3-aminopyrazol-1-yl)-N-(2-ethylhexyl)acetamide (PubChem CID 114004545) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-(3-aminopyrazol-1-yl)-N-(2-ethylhexyl)acetamide.

Molecular Properties

Compound Name2-(3-aminopyrazol-1-yl)-N-(2-ethylhexyl)acetamide
PubChem CID114004545
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name2-(3-aminopyrazol-1-yl)-N-(2-ethylhexyl)acetamide
SMILESCCCCC(CC)CNC(=O)Cn1ccc(N)n1
InChIInChI=1S/C13H24N4O/c1-3-5-6-11(4-2)9-15-13(18)10-17-8-7-12(14)16-17/h7-8,11H,3-6,9-10H2,1-2H3,(H2,14,16)(H,15,18)
InChIKeyYRSXVCOCRMZRQG-UHFFFAOYSA-N
XLogP1.80
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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2-(3-aminopyrazol-1-yl)-N-butan-2-ylacetamide
CID 60783220
2-(3-aminopyrazol-1-yl)-N-(4-hydroxybutan-2-yl)acetamide
CID 83176621
2-(3-aminopyrazol-1-yl)-N-methylacetamide
CID 60783095
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CID 62101709
2-(3-aminopyrazol-1-yl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)acetamide
CID 55134291
octyl 2-(3-aminopyrazol-1-yl)acetate
CID 62113086
2-(3-aminopyrazol-1-yl)-N-(3-phenylbutyl)acetamide
CID 62986610
2-(5-amino-2-pyridinyl)-N-(2-ethylhexyl)acetamide
CID 107338276
N-[(2S)-2-ethylhexyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 8879338
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CID 62111534

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopyrazol-1-yl)-N-(2-ethylhexyl)acetamide?
The IUPAC name of 2-(3-aminopyrazol-1-yl)-N-(2-ethylhexyl)acetamide (CID 114004545) is 2-(3-aminopyrazol-1-yl)-N-(2-ethylhexyl)acetamide.
What is the SMILES notation for 2-(3-aminopyrazol-1-yl)-N-(2-ethylhexyl)acetamide?
The canonical SMILES for 2-(3-aminopyrazol-1-yl)-N-(2-ethylhexyl)acetamide is CCCCC(CC)CNC(=O)Cn1ccc(N)n1.
What is the InChIKey of 2-(3-aminopyrazol-1-yl)-N-(2-ethylhexyl)acetamide?
The InChIKey is YRSXVCOCRMZRQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-3-5-6-11(4-2)9-15-13(18)10-17-8-7-12(14)16-17/h7-8,11H,3-6,9-10H2,1-2H3,(H2,14,16)(H,15,18).
What are the key properties of 2-(3-aminopyrazol-1-yl)-N-(2-ethylhexyl)acetamide?
2-(3-aminopyrazol-1-yl)-N-(2-ethylhexyl)acetamide has a molecular weight of 252.36 g/mol, XLogP of 1.80, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopyrazol-1-yl)-N-(2-ethylhexyl)acetamide is sourced from PubChem (CID 114004545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).