acetic acid;N'-(1H-pyrazol-5-yl)ethanimidamide

C7H12N4O2 — CID 86219607

IUPACacetic acid;N'-(1H-pyrazol-5-yl)ethanimidamide
SMILESCC(=O)O.CC(N)=Nc1ccn[nH]1
InChIInChI=1S/C5H8N4.C2H4O2/c1-4(6)8-5-2-3-7-9-5;1-2(3)4/h2-3H,1H3,(H3,6,7,8,9);1H3,(H,3,4)
InChIKeyTVBQAALMYYUYOM-UHFFFAOYSA-N
MW184.20 g/mol
LogP0.51
Rot. Bonds1

About acetic acid;N'-(1H-pyrazol-5-yl)ethanimidamide

acetic acid;N'-(1H-pyrazol-5-yl)ethanimidamide (PubChem CID 86219607) has the molecular formula C7H12N4O2 and a molecular weight of 184.20 g/mol. Its IUPAC name is acetic acid;N'-(1H-pyrazol-5-yl)ethanimidamide.

Molecular Properties

Compound Nameacetic acid;N'-(1H-pyrazol-5-yl)ethanimidamide
PubChem CID86219607
Molecular FormulaC7H12N4O2
Molecular Weight184.20 g/mol
Exact Mass184.10
IUPAC Nameacetic acid;N'-(1H-pyrazol-5-yl)ethanimidamide
SMILESCC(=O)O.CC(N)=Nc1ccn[nH]1
InChIInChI=1S/C5H8N4.C2H4O2/c1-4(6)8-5-2-3-7-9-5;1-2(3)4/h2-3H,1H3,(H3,6,7,8,9);1H3,(H,3,4)
InChIKeyTVBQAALMYYUYOM-UHFFFAOYSA-N
XLogP0.51
TPSA104.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze acetic acid;N'-(1H-pyrazol-5-yl)ethanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of acetic acid;N'-(1H-pyrazol-5-yl)ethanimidamide?
The IUPAC name of acetic acid;N'-(1H-pyrazol-5-yl)ethanimidamide (CID 86219607) is acetic acid;N'-(1H-pyrazol-5-yl)ethanimidamide.
What is the SMILES notation for acetic acid;N'-(1H-pyrazol-5-yl)ethanimidamide?
The canonical SMILES for acetic acid;N'-(1H-pyrazol-5-yl)ethanimidamide is CC(=O)O.CC(N)=Nc1ccn[nH]1.
What is the InChIKey of acetic acid;N'-(1H-pyrazol-5-yl)ethanimidamide?
The InChIKey is TVBQAALMYYUYOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4.C2H4O2/c1-4(6)8-5-2-3-7-9-5;1-2(3)4/h2-3H,1H3,(H3,6,7,8,9);1H3,(H,3,4).
What are the key properties of acetic acid;N'-(1H-pyrazol-5-yl)ethanimidamide?
acetic acid;N'-(1H-pyrazol-5-yl)ethanimidamide has a molecular weight of 184.20 g/mol, XLogP of 0.51, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;N'-(1H-pyrazol-5-yl)ethanimidamide is sourced from PubChem (CID 86219607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).