3-methylpyrazole-1-carboximidamide

C5H8N4 — CID 14833242

IUPAC3-methylpyrazole-1-carboximidamide
SMILES[H]/N=C(\N)n1ccc(C)n1
InChIInChI=1S/C5H8N4/c1-4-2-3-9(8-4)5(6)7/h2-3H,1H3,(H3,6,7)
InChIKeyGWLRCPBBLXQXRZ-UHFFFAOYSA-N
MW124.15 g/mol
LogP-0.07
Rot. Bonds

About 3-methylpyrazole-1-carboximidamide

3-methylpyrazole-1-carboximidamide (PubChem CID 14833242) has the molecular formula C5H8N4 and a molecular weight of 124.15 g/mol. Its IUPAC name is 3-methylpyrazole-1-carboximidamide.

Molecular Properties

Compound Name3-methylpyrazole-1-carboximidamide
PubChem CID14833242
Molecular FormulaC5H8N4
Molecular Weight124.15 g/mol
Exact Mass124.07
IUPAC Name3-methylpyrazole-1-carboximidamide
SMILES[H]/N=C(\N)n1ccc(C)n1
InChIInChI=1S/C5H8N4/c1-4-2-3-9(8-4)5(6)7/h2-3H,1H3,(H3,6,7)
InChIKeyGWLRCPBBLXQXRZ-UHFFFAOYSA-N
XLogP-0.07
TPSA67.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.15
LogP ≤ 5-0.07
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

Praxadine
CID 2734673
1H-Pyrazole, 1,3-dimethyl-
CID 79096
3(or 5)-Methyl-1H-pyrazole-1-carboxamide
CID 242452
N-Propyl-pyrazole-1-carboxamidine; hydrochloride
CID 44326871
3-methyl-1H-pyrazole-1-carboximidamidehydrochloride
CID 45261134
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
(1-Methylpyrazol-3-yl)methanamine
CID 7019419
1H-Pyrazole-1-carboximidamide, N-methyl-
CID 10953493
1-methyl-1H-pyrazole-3-carboximidamide hydrochloride
CID 126809397

Frequently Asked Questions

What is the IUPAC name of 3-methylpyrazole-1-carboximidamide?
The IUPAC name of 3-methylpyrazole-1-carboximidamide (CID 14833242) is 3-methylpyrazole-1-carboximidamide.
What is the SMILES notation for 3-methylpyrazole-1-carboximidamide?
The canonical SMILES for 3-methylpyrazole-1-carboximidamide is [H]/N=C(\N)n1ccc(C)n1.
What is the InChIKey of 3-methylpyrazole-1-carboximidamide?
The InChIKey is GWLRCPBBLXQXRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4/c1-4-2-3-9(8-4)5(6)7/h2-3H,1H3,(H3,6,7).
What are the key properties of 3-methylpyrazole-1-carboximidamide?
3-methylpyrazole-1-carboximidamide has a molecular weight of 124.15 g/mol, XLogP of -0.07, 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 is sourced from PubChem (CID 14833242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).