1-methylpyrazole-3-carboximidamide;hydrochloride

C5H9ClN4 — CID 126809397

IUPAC1-methylpyrazole-3-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1ccn(C)n1
InChIInChI=1S/C5H8N4.ClH/c1-9-3-2-4(8-9)5(6)7;/h2-3H,1H3,(H3,6,7);1H
InChIKeyNXUDUXBSRRNXIY-UHFFFAOYSA-N
MW160.61 g/mol
LogP0.13
Rot. Bonds1

About 1-methylpyrazole-3-carboximidamide;hydrochloride

1-methylpyrazole-3-carboximidamide;hydrochloride (PubChem CID 126809397) has the molecular formula C5H9ClN4 and a molecular weight of 160.61 g/mol. Its IUPAC name is 1-methylpyrazole-3-carboximidamide;hydrochloride.

Molecular Properties

Compound Name1-methylpyrazole-3-carboximidamide;hydrochloride
PubChem CID126809397
Molecular FormulaC5H9ClN4
Molecular Weight160.61 g/mol
Exact Mass160.05
IUPAC Name1-methylpyrazole-3-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1ccn(C)n1
InChIInChI=1S/C5H8N4.ClH/c1-9-3-2-4(8-9)5(6)7;/h2-3H,1H3,(H3,6,7);1H
InChIKeyNXUDUXBSRRNXIY-UHFFFAOYSA-N
XLogP0.13
TPSA67.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.61
LogP ≤ 50.13
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 1-methylpyrazole-3-carboximidamide;hydrochloride?
The IUPAC name of 1-methylpyrazole-3-carboximidamide;hydrochloride (CID 126809397) is 1-methylpyrazole-3-carboximidamide;hydrochloride.
What is the SMILES notation for 1-methylpyrazole-3-carboximidamide;hydrochloride?
The canonical SMILES for 1-methylpyrazole-3-carboximidamide;hydrochloride is Cl.[H]/N=C(\N)c1ccn(C)n1.
What is the InChIKey of 1-methylpyrazole-3-carboximidamide;hydrochloride?
The InChIKey is NXUDUXBSRRNXIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4.ClH/c1-9-3-2-4(8-9)5(6)7;/h2-3H,1H3,(H3,6,7);1H.
What are the key properties of 1-methylpyrazole-3-carboximidamide;hydrochloride?
1-methylpyrazole-3-carboximidamide;hydrochloride has a molecular weight of 160.61 g/mol, XLogP of 0.13, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylpyrazole-3-carboximidamide;hydrochloride is sourced from PubChem (CID 126809397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).