[(Z)-3-iminoprop-1-enyl]-(pyrazole-1-carboximidoyl)azanium

C7H10N5+ — CID 155716624

IUPAC[(Z)-3-iminoprop-1-enyl]-(pyrazole-1-carboximidoyl)azanium
SMILES[H]/N=C(/[NH2+]/C=C\C=N\[H])n1cccn1
InChIInChI=1S/C7H9N5/c8-3-1-4-10-7(9)12-6-2-5-11-12/h1-6,8H,(H2,9,10)/p+1/b4-1-,8-3+
InChIKeyHUMHZPLHQVFJPW-AZGCYKKBSA-O
MW164.19 g/mol
LogP-0.61
Rot. Bonds2

About [(Z)-3-iminoprop-1-enyl]-(pyrazole-1-carboximidoyl)azanium

[(Z)-3-iminoprop-1-enyl]-(pyrazole-1-carboximidoyl)azanium (PubChem CID 155716624) has the molecular formula C7H10N5+ and a molecular weight of 164.19 g/mol. Its IUPAC name is [(Z)-3-iminoprop-1-enyl]-(pyrazole-1-carboximidoyl)azanium.

Molecular Properties

Compound Name[(Z)-3-iminoprop-1-enyl]-(pyrazole-1-carboximidoyl)azanium
PubChem CID155716624
Molecular FormulaC7H10N5+
Molecular Weight164.19 g/mol
Exact Mass164.09
IUPAC Name[(Z)-3-iminoprop-1-enyl]-(pyrazole-1-carboximidoyl)azanium
SMILES[H]/N=C(/[NH2+]/C=C\C=N\[H])n1cccn1
InChIInChI=1S/C7H9N5/c8-3-1-4-10-7(9)12-6-2-5-11-12/h1-6,8H,(H2,9,10)/p+1/b4-1-,8-3+
InChIKeyHUMHZPLHQVFJPW-AZGCYKKBSA-O
XLogP-0.61
TPSA82.13 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.19
LogP ≤ 5-0.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(Z)-3-iminoprop-1-enyl]-(pyrazole-1-carboximidoyl)azanium?
The IUPAC name of [(Z)-3-iminoprop-1-enyl]-(pyrazole-1-carboximidoyl)azanium (CID 155716624) is [(Z)-3-iminoprop-1-enyl]-(pyrazole-1-carboximidoyl)azanium.
What is the SMILES notation for [(Z)-3-iminoprop-1-enyl]-(pyrazole-1-carboximidoyl)azanium?
The canonical SMILES for [(Z)-3-iminoprop-1-enyl]-(pyrazole-1-carboximidoyl)azanium is [H]/N=C(/[NH2+]/C=C\C=N\[H])n1cccn1.
What is the InChIKey of [(Z)-3-iminoprop-1-enyl]-(pyrazole-1-carboximidoyl)azanium?
The InChIKey is HUMHZPLHQVFJPW-AZGCYKKBSA-O. The full InChI is InChI=1S/C7H9N5/c8-3-1-4-10-7(9)12-6-2-5-11-12/h1-6,8H,(H2,9,10)/p+1/b4-1-,8-3+.
What are the key properties of [(Z)-3-iminoprop-1-enyl]-(pyrazole-1-carboximidoyl)azanium?
[(Z)-3-iminoprop-1-enyl]-(pyrazole-1-carboximidoyl)azanium has a molecular weight of 164.19 g/mol, XLogP of -0.61, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-3-iminoprop-1-enyl]-(pyrazole-1-carboximidoyl)azanium is sourced from PubChem (CID 155716624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).