5-(ethenylamino)-1H-pyrazole-4-carboximidamide

C6H9N5 — CID 136593831

IUPAC5-(ethenylamino)-1H-pyrazole-4-carboximidamide
SMILES[H]/N=C(\N)c1cn[nH]c1NC=C
InChIInChI=1S/C6H9N5/c1-2-9-6-4(5(7)8)3-10-11-6/h2-3H,1H2,(H3,7,8)(H2,9,10,11)
InChIKeyQUPFHEWMXBXKQA-UHFFFAOYSA-N
MW151.17 g/mol
LogP0.25
Rot. Bonds3

About 5-(ethenylamino)-1H-pyrazole-4-carboximidamide

5-(ethenylamino)-1H-pyrazole-4-carboximidamide (PubChem CID 136593831) has the molecular formula C6H9N5 and a molecular weight of 151.17 g/mol. Its IUPAC name is 5-(ethenylamino)-1H-pyrazole-4-carboximidamide.

Molecular Properties

Compound Name5-(ethenylamino)-1H-pyrazole-4-carboximidamide
PubChem CID136593831
Molecular FormulaC6H9N5
Molecular Weight151.17 g/mol
Exact Mass151.09
IUPAC Name5-(ethenylamino)-1H-pyrazole-4-carboximidamide
SMILES[H]/N=C(\N)c1cn[nH]c1NC=C
InChIInChI=1S/C6H9N5/c1-2-9-6-4(5(7)8)3-10-11-6/h2-3H,1H2,(H3,7,8)(H2,9,10,11)
InChIKeyQUPFHEWMXBXKQA-UHFFFAOYSA-N
XLogP0.25
TPSA90.58 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.17
LogP ≤ 50.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(ethenylamino)-1H-pyrazole-4-carboximidamide 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 5-(ethenylamino)-1H-pyrazole-4-carboximidamide?
The IUPAC name of 5-(ethenylamino)-1H-pyrazole-4-carboximidamide (CID 136593831) is 5-(ethenylamino)-1H-pyrazole-4-carboximidamide.
What is the SMILES notation for 5-(ethenylamino)-1H-pyrazole-4-carboximidamide?
The canonical SMILES for 5-(ethenylamino)-1H-pyrazole-4-carboximidamide is [H]/N=C(\N)c1cn[nH]c1NC=C.
What is the InChIKey of 5-(ethenylamino)-1H-pyrazole-4-carboximidamide?
The InChIKey is QUPFHEWMXBXKQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N5/c1-2-9-6-4(5(7)8)3-10-11-6/h2-3H,1H2,(H3,7,8)(H2,9,10,11).
What are the key properties of 5-(ethenylamino)-1H-pyrazole-4-carboximidamide?
5-(ethenylamino)-1H-pyrazole-4-carboximidamide has a molecular weight of 151.17 g/mol, XLogP of 0.25, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethenylamino)-1H-pyrazole-4-carboximidamide is sourced from PubChem (CID 136593831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).