3-methylpyrazole-1-carboximidamide;hydrochloride

C5H9ClN4 — CID 45261134

IUPAC3-methylpyrazole-1-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)n1ccc(C)n1
InChIInChI=1S/C5H8N4.ClH/c1-4-2-3-9(8-4)5(6)7;/h2-3H,1H3,(H3,6,7);1H
InChIKeyCVOIMBTUYYFLNK-UHFFFAOYSA-N
MW160.61 g/mol
LogP0.35
Rot. Bonds

About 3-methylpyrazole-1-carboximidamide;hydrochloride

3-methylpyrazole-1-carboximidamide;hydrochloride (PubChem CID 45261134) has the molecular formula C5H9ClN4 and a molecular weight of 160.61 g/mol. Its IUPAC name is 3-methylpyrazole-1-carboximidamide;hydrochloride.

Molecular Properties

Compound Name3-methylpyrazole-1-carboximidamide;hydrochloride
PubChem CID45261134
Molecular FormulaC5H9ClN4
Molecular Weight160.61 g/mol
Exact Mass160.05
IUPAC Name3-methylpyrazole-1-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)n1ccc(C)n1
InChIInChI=1S/C5H8N4.ClH/c1-4-2-3-9(8-4)5(6)7;/h2-3H,1H3,(H3,6,7);1H
InChIKeyCVOIMBTUYYFLNK-UHFFFAOYSA-N
XLogP0.35
TPSA67.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.61
LogP ≤ 50.35
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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Related Compounds

Pyrazole-1-carboxamidine monohydrochloride
CID 2734672
1H-Pyrazole, 1,3-dimethyl-
CID 79096
3(or 5)-Methyl-1H-pyrazole-1-carboxamide
CID 242452
3-methyl-1H-pyrazole-1-carboximidamide
CID 14833242
N-Propyl-pyrazole-1-carboxamidine; hydrochloride
CID 44326871
N'-propylpyrazole-1-carboximidamide;hydrochloride
CID 45264946
N-Butyl-pyrazole-1-carboxamidine; hydrochloride
CID 44326869
N'-butylpyrazole-1-carboximidamide;hydrochloride
CID 45261125
1H-Pyrazole, 1-ethenyl-3-methyl-
CID 3016825
1H-Pyrazole-1-carboximidamide, N-methyl-
CID 10953493
(1-methyl-1H-pyrazol-3-yl)methanamine hydrochloride
CID 20850074
1-methyl-1H-pyrazole-3-carboximidamide hydrochloride
CID 126809397

Frequently Asked Questions

What is the IUPAC name of 3-methylpyrazole-1-carboximidamide;hydrochloride?
The IUPAC name of 3-methylpyrazole-1-carboximidamide;hydrochloride (CID 45261134) is 3-methylpyrazole-1-carboximidamide;hydrochloride.
What is the SMILES notation for 3-methylpyrazole-1-carboximidamide;hydrochloride?
The canonical SMILES for 3-methylpyrazole-1-carboximidamide;hydrochloride is Cl.[H]/N=C(\N)n1ccc(C)n1.
What is the InChIKey of 3-methylpyrazole-1-carboximidamide;hydrochloride?
The InChIKey is CVOIMBTUYYFLNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4.ClH/c1-4-2-3-9(8-4)5(6)7;/h2-3H,1H3,(H3,6,7);1H.
What are the key properties of 3-methylpyrazole-1-carboximidamide;hydrochloride?
3-methylpyrazole-1-carboximidamide;hydrochloride has a molecular weight of 160.61 g/mol, XLogP of 0.35, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylpyrazole-1-carboximidamide;hydrochloride is sourced from PubChem (CID 45261134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).