2-methyl-3-(4-methylpyrazol-1-yl)propanimidamide

C8H14N4 — CID 60873678

IUPAC2-methyl-3-(4-methylpyrazol-1-yl)propanimidamide
SMILES[H]/N=C(\N)C(C)Cn1cc(C)cn1
InChIInChI=1S/C8H14N4/c1-6-3-11-12(4-6)5-7(2)8(9)10/h3-4,7H,5H2,1-2H3,(H3,9,10)
InChIKeyCHMLLHCECVXQJU-UHFFFAOYSA-N
MW166.23 g/mol
LogP0.76
Rot. Bonds3

About 2-methyl-3-(4-methylpyrazol-1-yl)propanimidamide

2-methyl-3-(4-methylpyrazol-1-yl)propanimidamide (PubChem CID 60873678) has the molecular formula C8H14N4 and a molecular weight of 166.23 g/mol. Its IUPAC name is 2-methyl-3-(4-methylpyrazol-1-yl)propanimidamide.

Molecular Properties

Compound Name2-methyl-3-(4-methylpyrazol-1-yl)propanimidamide
PubChem CID60873678
Molecular FormulaC8H14N4
Molecular Weight166.23 g/mol
Exact Mass166.12
IUPAC Name2-methyl-3-(4-methylpyrazol-1-yl)propanimidamide
SMILES[H]/N=C(\N)C(C)Cn1cc(C)cn1
InChIInChI=1S/C8H14N4/c1-6-3-11-12(4-6)5-7(2)8(9)10/h3-4,7H,5H2,1-2H3,(H3,9,10)
InChIKeyCHMLLHCECVXQJU-UHFFFAOYSA-N
XLogP0.76
TPSA67.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.23
LogP ≤ 50.76
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 2-methyl-3-(4-methylpyrazol-1-yl)propanimidamide?
The IUPAC name of 2-methyl-3-(4-methylpyrazol-1-yl)propanimidamide (CID 60873678) is 2-methyl-3-(4-methylpyrazol-1-yl)propanimidamide.
What is the SMILES notation for 2-methyl-3-(4-methylpyrazol-1-yl)propanimidamide?
The canonical SMILES for 2-methyl-3-(4-methylpyrazol-1-yl)propanimidamide is [H]/N=C(\N)C(C)Cn1cc(C)cn1.
What is the InChIKey of 2-methyl-3-(4-methylpyrazol-1-yl)propanimidamide?
The InChIKey is CHMLLHCECVXQJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4/c1-6-3-11-12(4-6)5-7(2)8(9)10/h3-4,7H,5H2,1-2H3,(H3,9,10).
What are the key properties of 2-methyl-3-(4-methylpyrazol-1-yl)propanimidamide?
2-methyl-3-(4-methylpyrazol-1-yl)propanimidamide has a molecular weight of 166.23 g/mol, XLogP of 0.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(4-methylpyrazol-1-yl)propanimidamide is sourced from PubChem (CID 60873678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).