N'-methyl-N-(5-methyl-1H-pyrazol-3-yl)butanimidamide

C9H16N4 — CID 68873581

IUPACN'-methyl-N-(5-methyl-1H-pyrazol-3-yl)butanimidamide
SMILESCCC/C(=N\C)Nc1cc(C)[nH]n1
InChIInChI=1S/C9H16N4/c1-4-5-8(10-3)11-9-6-7(2)12-13-9/h6H,4-5H2,1-3H3,(H2,10,11,12,13)
InChIKeyQWGXTJDUPIDIJN-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.96
Rot. Bonds3

About N'-methyl-N-(5-methyl-1H-pyrazol-3-yl)butanimidamide

N'-methyl-N-(5-methyl-1H-pyrazol-3-yl)butanimidamide (PubChem CID 68873581) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is N'-methyl-N-(5-methyl-1H-pyrazol-3-yl)butanimidamide.

Molecular Properties

Compound NameN'-methyl-N-(5-methyl-1H-pyrazol-3-yl)butanimidamide
PubChem CID68873581
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC NameN'-methyl-N-(5-methyl-1H-pyrazol-3-yl)butanimidamide
SMILESCCC/C(=N\C)Nc1cc(C)[nH]n1
InChIInChI=1S/C9H16N4/c1-4-5-8(10-3)11-9-6-7(2)12-13-9/h6H,4-5H2,1-3H3,(H2,10,11,12,13)
InChIKeyQWGXTJDUPIDIJN-UHFFFAOYSA-N
XLogP1.96
TPSA53.07 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 N'-methyl-N-(5-methyl-1H-pyrazol-3-yl)butanimidamide?
The IUPAC name of N'-methyl-N-(5-methyl-1H-pyrazol-3-yl)butanimidamide (CID 68873581) is N'-methyl-N-(5-methyl-1H-pyrazol-3-yl)butanimidamide.
What is the SMILES notation for N'-methyl-N-(5-methyl-1H-pyrazol-3-yl)butanimidamide?
The canonical SMILES for N'-methyl-N-(5-methyl-1H-pyrazol-3-yl)butanimidamide is CCC/C(=N\C)Nc1cc(C)[nH]n1.
What is the InChIKey of N'-methyl-N-(5-methyl-1H-pyrazol-3-yl)butanimidamide?
The InChIKey is QWGXTJDUPIDIJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c1-4-5-8(10-3)11-9-6-7(2)12-13-9/h6H,4-5H2,1-3H3,(H2,10,11,12,13).
What are the key properties of N'-methyl-N-(5-methyl-1H-pyrazol-3-yl)butanimidamide?
N'-methyl-N-(5-methyl-1H-pyrazol-3-yl)butanimidamide has a molecular weight of 180.25 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-(5-methyl-1H-pyrazol-3-yl)butanimidamide is sourced from PubChem (CID 68873581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).