1H-pyrazole-5-carboximidamide;hydrochloride

C4H7ClN4 — CID 135741955

IUPAC1H-pyrazole-5-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1ccn[nH]1
InChIInChI=1S/C4H6N4.ClH/c5-4(6)3-1-2-7-8-3;/h1-2H,(H3,5,6)(H,7,8);1H
InChIKeyGWEATQMXNIFWCP-UHFFFAOYSA-N
MW146.58 g/mol
LogP0.12
Rot. Bonds1

About 1H-pyrazole-5-carboximidamide;hydrochloride

1H-pyrazole-5-carboximidamide;hydrochloride (PubChem CID 135741955) has the molecular formula C4H7ClN4 and a molecular weight of 146.58 g/mol. Its IUPAC name is 1H-pyrazole-5-carboximidamide;hydrochloride.

Molecular Properties

Compound Name1H-pyrazole-5-carboximidamide;hydrochloride
PubChem CID135741955
Molecular FormulaC4H7ClN4
Molecular Weight146.58 g/mol
Exact Mass146.04
IUPAC Name1H-pyrazole-5-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1ccn[nH]1
InChIInChI=1S/C4H6N4.ClH/c5-4(6)3-1-2-7-8-3;/h1-2H,(H3,5,6)(H,7,8);1H
InChIKeyGWEATQMXNIFWCP-UHFFFAOYSA-N
XLogP0.12
TPSA78.55 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.58
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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3-Methyl(1-~2~H)-1H-pyrazole
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Frequently Asked Questions

What is the IUPAC name of 1H-pyrazole-5-carboximidamide;hydrochloride?
The IUPAC name of 1H-pyrazole-5-carboximidamide;hydrochloride (CID 135741955) is 1H-pyrazole-5-carboximidamide;hydrochloride.
What is the SMILES notation for 1H-pyrazole-5-carboximidamide;hydrochloride?
The canonical SMILES for 1H-pyrazole-5-carboximidamide;hydrochloride is Cl.[H]/N=C(\N)c1ccn[nH]1.
What is the InChIKey of 1H-pyrazole-5-carboximidamide;hydrochloride?
The InChIKey is GWEATQMXNIFWCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N4.ClH/c5-4(6)3-1-2-7-8-3;/h1-2H,(H3,5,6)(H,7,8);1H.
What are the key properties of 1H-pyrazole-5-carboximidamide;hydrochloride?
1H-pyrazole-5-carboximidamide;hydrochloride has a molecular weight of 146.58 g/mol, XLogP of 0.12, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrazole-5-carboximidamide;hydrochloride is sourced from PubChem (CID 135741955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).