pyrazole-1-carboximidamide;hydrochloride

C4H7ClN4 — CID 2734672

IUPACpyrazole-1-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)n1cccn1
InChIInChI=1S/C4H6N4.ClH/c5-4(6)8-3-1-2-7-8;/h1-3H,(H3,5,6);1H
InChIKeyRBZRMBCLZMEYEH-UHFFFAOYSA-N
MW146.58 g/mol
LogP0.05
Rot. Bonds

About pyrazole-1-carboximidamide;hydrochloride

pyrazole-1-carboximidamide;hydrochloride (PubChem CID 2734672) has the molecular formula C4H7ClN4 and a molecular weight of 146.58 g/mol. Its IUPAC name is pyrazole-1-carboximidamide;hydrochloride.

Molecular Properties

Compound Namepyrazole-1-carboximidamide;hydrochloride
PubChem CID2734672
Molecular FormulaC4H7ClN4
Molecular Weight146.58 g/mol
Exact Mass146.04
IUPAC Namepyrazole-1-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)n1cccn1
InChIInChI=1S/C4H6N4.ClH/c5-4(6)8-3-1-2-7-8;/h1-3H,(H3,5,6);1H
InChIKeyRBZRMBCLZMEYEH-UHFFFAOYSA-N
XLogP0.05
TPSA67.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.58
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 pyrazole-1-carboximidamide;hydrochloride?
The IUPAC name of pyrazole-1-carboximidamide;hydrochloride (CID 2734672) is pyrazole-1-carboximidamide;hydrochloride.
What is the SMILES notation for pyrazole-1-carboximidamide;hydrochloride?
The canonical SMILES for pyrazole-1-carboximidamide;hydrochloride is Cl.[H]/N=C(\N)n1cccn1.
What is the InChIKey of pyrazole-1-carboximidamide;hydrochloride?
The InChIKey is RBZRMBCLZMEYEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N4.ClH/c5-4(6)8-3-1-2-7-8;/h1-3H,(H3,5,6);1H.
What are the key properties of pyrazole-1-carboximidamide;hydrochloride?
pyrazole-1-carboximidamide;hydrochloride has a molecular weight of 146.58 g/mol, XLogP of 0.05, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyrazole-1-carboximidamide;hydrochloride is sourced from PubChem (CID 2734672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).