5-aminopyrazole-1-carboximidamide;hydrochloride

C4H8ClN5 — CID 19382651

IUPAC5-aminopyrazole-1-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)n1nccc1N
InChIInChI=1S/C4H7N5.ClH/c5-3-1-2-8-9(3)4(6)7;/h1-2H,5H2,(H3,6,7);1H
InChIKeyQIKJCMNZDNIYQE-UHFFFAOYSA-N
MW161.60 g/mol
LogP-0.37
Rot. Bonds

About 5-aminopyrazole-1-carboximidamide;hydrochloride

5-aminopyrazole-1-carboximidamide;hydrochloride (PubChem CID 19382651) has the molecular formula C4H8ClN5 and a molecular weight of 161.60 g/mol. Its IUPAC name is 5-aminopyrazole-1-carboximidamide;hydrochloride.

Molecular Properties

Compound Name5-aminopyrazole-1-carboximidamide;hydrochloride
PubChem CID19382651
Molecular FormulaC4H8ClN5
Molecular Weight161.60 g/mol
Exact Mass161.05
IUPAC Name5-aminopyrazole-1-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)n1nccc1N
InChIInChI=1S/C4H7N5.ClH/c5-3-1-2-8-9(3)4(6)7;/h1-2H,5H2,(H3,6,7);1H
InChIKeyQIKJCMNZDNIYQE-UHFFFAOYSA-N
XLogP-0.37
TPSA93.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.60
LogP ≤ 5-0.37
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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Related Compounds

phenyl 5-aminopyrazole-1-carboximidate
CID 14905367
5-amino-3-(furan-2-yl)pyrazole-1-carboximidamide;hydrochloride
CID 19382747
triazole-2-carboximidamide;hydrochloride
CID 130367054
5-amino-3-(4-methylphenyl)pyrazole-1-carboximidamide;hydrochloride
CID 19382749
triazole-2-carboximidamide
CID 130367055
5-amino-4-pyrimidin-4-ylpyrazole-1-carboximidamide
CID 21495087
2-amino-1-(5-aminopyrazol-1-yl)-2-methylpropan-1-one
CID 83617922
CID 22969545
CID 22969545
2-alumanylpyrazol-3-amine
CID 148849430
triazole-1-carboximidamide;hydrochloride
CID 18519220
3-(4-aminophenyl)pyrazole-1-carboximidamide;dihydrochloride
CID 19382678
4-iminopyridine-1-carboximidamide
CID 154146981

Frequently Asked Questions

What is the IUPAC name of 5-aminopyrazole-1-carboximidamide;hydrochloride?
The IUPAC name of 5-aminopyrazole-1-carboximidamide;hydrochloride (CID 19382651) is 5-aminopyrazole-1-carboximidamide;hydrochloride.
What is the SMILES notation for 5-aminopyrazole-1-carboximidamide;hydrochloride?
The canonical SMILES for 5-aminopyrazole-1-carboximidamide;hydrochloride is Cl.[H]/N=C(\N)n1nccc1N.
What is the InChIKey of 5-aminopyrazole-1-carboximidamide;hydrochloride?
The InChIKey is QIKJCMNZDNIYQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N5.ClH/c5-3-1-2-8-9(3)4(6)7;/h1-2H,5H2,(H3,6,7);1H.
What are the key properties of 5-aminopyrazole-1-carboximidamide;hydrochloride?
5-aminopyrazole-1-carboximidamide;hydrochloride has a molecular weight of 161.60 g/mol, XLogP of -0.37, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-aminopyrazole-1-carboximidamide;hydrochloride is sourced from PubChem (CID 19382651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).