2-(3-aminopyrazol-1-yl)-N-octan-4-ylacetamide

C13H24N4O — CID 114137891

IUPAC2-(3-aminopyrazol-1-yl)-N-octan-4-ylacetamide
SMILESCCCCC(CCC)NC(=O)Cn1ccc(N)n1
InChIInChI=1S/C13H24N4O/c1-3-5-7-11(6-4-2)15-13(18)10-17-9-8-12(14)16-17/h8-9,11H,3-7,10H2,1-2H3,(H2,14,16)(H,15,18)
InChIKeyOALUSWHEXMDASP-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.94
Rot. Bonds8

About 2-(3-aminopyrazol-1-yl)-N-octan-4-ylacetamide

2-(3-aminopyrazol-1-yl)-N-octan-4-ylacetamide (PubChem CID 114137891) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-(3-aminopyrazol-1-yl)-N-octan-4-ylacetamide.

Molecular Properties

Compound Name2-(3-aminopyrazol-1-yl)-N-octan-4-ylacetamide
PubChem CID114137891
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name2-(3-aminopyrazol-1-yl)-N-octan-4-ylacetamide
SMILESCCCCC(CCC)NC(=O)Cn1ccc(N)n1
InChIInChI=1S/C13H24N4O/c1-3-5-7-11(6-4-2)15-13(18)10-17-9-8-12(14)16-17/h8-9,11H,3-7,10H2,1-2H3,(H2,14,16)(H,15,18)
InChIKeyOALUSWHEXMDASP-UHFFFAOYSA-N
XLogP1.94
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 ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 62197855
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2-(3-aminopyrazol-1-yl)-N-(2-ethylhexyl)acetamide
CID 114004545
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CID 60783220
2-(3-aminopyrazol-1-yl)-N-(4-hydroxybutan-2-yl)acetamide
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2-[[2-(3-aminopyrazol-1-yl)acetyl]amino]propanamide
CID 62101706
2-(3-aminopyrazol-1-yl)-N-methylacetamide
CID 60783095
2-(3-aminopyrazol-1-yl)-N-[(1R)-1-phenylethyl]acetamide
CID 107863852
2-(3-aminopyrazol-1-yl)-N-(1-thiophen-2-ylethyl)acetamide
CID 62102541
octyl 2-(3-aminopyrazol-1-yl)acetate
CID 62113086
2-(3-aminopyrazol-1-yl)-N-(1-pyridin-2-ylethyl)acetamide
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N-(2-acetamidoethyl)-2-(3-aminopyrazol-1-yl)acetamide
CID 62101709

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopyrazol-1-yl)-N-octan-4-ylacetamide?
The IUPAC name of 2-(3-aminopyrazol-1-yl)-N-octan-4-ylacetamide (CID 114137891) is 2-(3-aminopyrazol-1-yl)-N-octan-4-ylacetamide.
What is the SMILES notation for 2-(3-aminopyrazol-1-yl)-N-octan-4-ylacetamide?
The canonical SMILES for 2-(3-aminopyrazol-1-yl)-N-octan-4-ylacetamide is CCCCC(CCC)NC(=O)Cn1ccc(N)n1.
What is the InChIKey of 2-(3-aminopyrazol-1-yl)-N-octan-4-ylacetamide?
The InChIKey is OALUSWHEXMDASP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-3-5-7-11(6-4-2)15-13(18)10-17-9-8-12(14)16-17/h8-9,11H,3-7,10H2,1-2H3,(H2,14,16)(H,15,18).
What are the key properties of 2-(3-aminopyrazol-1-yl)-N-octan-4-ylacetamide?
2-(3-aminopyrazol-1-yl)-N-octan-4-ylacetamide has a molecular weight of 252.36 g/mol, XLogP of 1.94, 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-octan-4-ylacetamide is sourced from PubChem (CID 114137891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).