2-(3-aminopyrazol-1-yl)-N-ethylacetamide

C7H12N4O — CID 50987965

IUPAC2-(3-aminopyrazol-1-yl)-N-ethylacetamide
SMILESCCNC(=O)Cn1ccc(N)n1
InChIInChI=1S/C7H12N4O/c1-2-9-7(12)5-11-4-3-6(8)10-11/h3-4H,2,5H2,1H3,(H2,8,10)(H,9,12)
InChIKeyKHLHKUMJRSFDGZ-UHFFFAOYSA-N
MW168.20 g/mol
LogP-0.40
Rot. Bonds3

About 2-(3-aminopyrazol-1-yl)-N-ethylacetamide

2-(3-aminopyrazol-1-yl)-N-ethylacetamide (PubChem CID 50987965) has the molecular formula C7H12N4O and a molecular weight of 168.20 g/mol. Its IUPAC name is 2-(3-aminopyrazol-1-yl)-N-ethylacetamide.

Molecular Properties

Compound Name2-(3-aminopyrazol-1-yl)-N-ethylacetamide
PubChem CID50987965
Molecular FormulaC7H12N4O
Molecular Weight168.20 g/mol
Exact Mass168.10
IUPAC Name2-(3-aminopyrazol-1-yl)-N-ethylacetamide
SMILESCCNC(=O)Cn1ccc(N)n1
InChIInChI=1S/C7H12N4O/c1-2-9-7(12)5-11-4-3-6(8)10-11/h3-4H,2,5H2,1H3,(H2,8,10)(H,9,12)
InChIKeyKHLHKUMJRSFDGZ-UHFFFAOYSA-N
XLogP-0.40
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopyrazol-1-yl)-N-ethylacetamide?
The IUPAC name of 2-(3-aminopyrazol-1-yl)-N-ethylacetamide (CID 50987965) is 2-(3-aminopyrazol-1-yl)-N-ethylacetamide.
What is the SMILES notation for 2-(3-aminopyrazol-1-yl)-N-ethylacetamide?
The canonical SMILES for 2-(3-aminopyrazol-1-yl)-N-ethylacetamide is CCNC(=O)Cn1ccc(N)n1.
What is the InChIKey of 2-(3-aminopyrazol-1-yl)-N-ethylacetamide?
The InChIKey is KHLHKUMJRSFDGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O/c1-2-9-7(12)5-11-4-3-6(8)10-11/h3-4H,2,5H2,1H3,(H2,8,10)(H,9,12).
What are the key properties of 2-(3-aminopyrazol-1-yl)-N-ethylacetamide?
2-(3-aminopyrazol-1-yl)-N-ethylacetamide has a molecular weight of 168.20 g/mol, XLogP of -0.40, 3 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-ethylacetamide is sourced from PubChem (CID 50987965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).