2-(3-aminopyrazol-1-yl)-N-butan-2-ylacetamide

C9H16N4O — CID 60783220

IUPAC2-(3-aminopyrazol-1-yl)-N-butan-2-ylacetamide
SMILESCCC(C)NC(=O)Cn1ccc(N)n1
InChIInChI=1S/C9H16N4O/c1-3-7(2)11-9(14)6-13-5-4-8(10)12-13/h4-5,7H,3,6H2,1-2H3,(H2,10,12)(H,11,14)
InChIKeyCGOXQHVADRJQEC-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.38
Rot. Bonds4

About 2-(3-aminopyrazol-1-yl)-N-butan-2-ylacetamide

2-(3-aminopyrazol-1-yl)-N-butan-2-ylacetamide (PubChem CID 60783220) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-(3-aminopyrazol-1-yl)-N-butan-2-ylacetamide.

Molecular Properties

Compound Name2-(3-aminopyrazol-1-yl)-N-butan-2-ylacetamide
PubChem CID60783220
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name2-(3-aminopyrazol-1-yl)-N-butan-2-ylacetamide
SMILESCCC(C)NC(=O)Cn1ccc(N)n1
InChIInChI=1S/C9H16N4O/c1-3-7(2)11-9(14)6-13-5-4-8(10)12-13/h4-5,7H,3,6H2,1-2H3,(H2,10,12)(H,11,14)
InChIKeyCGOXQHVADRJQEC-UHFFFAOYSA-N
XLogP0.38
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-aminopyrazol-1-yl)-N-hexan-2-ylacetamide
CID 62197855
2-(3-aminopyrazol-1-yl)-N-(4-hydroxybutan-2-yl)acetamide
CID 83176621
2-[[2-(3-aminopyrazol-1-yl)acetyl]amino]propanamide
CID 62101706
1-[2-(butan-2-ylamino)-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19624158
[1-(butan-2-ylamino)-1-oxopropan-2-yl] 2-(3-aminopyrazol-1-yl)acetate
CID 62114107
2-(3-aminopyrazol-1-yl)-N-[(1R)-1-phenylethyl]acetamide
CID 107863852
2-(3-aminopyrazol-1-yl)-N-octan-4-ylacetamide
CID 114137891
2-(3-aminopyrazol-1-yl)-N-methylacetamide
CID 60783095
2-(3-aminopyrazol-1-yl)-N-(1-thiophen-2-ylethyl)acetamide
CID 62102541
2-(3-aminopyrazol-1-yl)-N-(1-pyridin-2-ylethyl)acetamide
CID 62101552
[2-oxo-2-(propan-2-ylamino)ethyl] 2-(3-aminopyrazol-1-yl)acetate
CID 55035689
2-(3-aminopyrazol-1-yl)-N-(2-ethylhexyl)acetamide
CID 114004545

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopyrazol-1-yl)-N-butan-2-ylacetamide?
The IUPAC name of 2-(3-aminopyrazol-1-yl)-N-butan-2-ylacetamide (CID 60783220) is 2-(3-aminopyrazol-1-yl)-N-butan-2-ylacetamide.
What is the SMILES notation for 2-(3-aminopyrazol-1-yl)-N-butan-2-ylacetamide?
The canonical SMILES for 2-(3-aminopyrazol-1-yl)-N-butan-2-ylacetamide is CCC(C)NC(=O)Cn1ccc(N)n1.
What is the InChIKey of 2-(3-aminopyrazol-1-yl)-N-butan-2-ylacetamide?
The InChIKey is CGOXQHVADRJQEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-3-7(2)11-9(14)6-13-5-4-8(10)12-13/h4-5,7H,3,6H2,1-2H3,(H2,10,12)(H,11,14).
What are the key properties of 2-(3-aminopyrazol-1-yl)-N-butan-2-ylacetamide?
2-(3-aminopyrazol-1-yl)-N-butan-2-ylacetamide has a molecular weight of 196.25 g/mol, XLogP of 0.38, 4 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-butan-2-ylacetamide is sourced from PubChem (CID 60783220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).