N'-methyl-2-methylidene-N-(5-methyl-1H-pyrazol-3-yl)butanimidamide;prop-1-ene

C13H22N4 — CID 145169801

IUPACN'-methyl-2-methylidene-N-(5-methyl-1H-pyrazol-3-yl)butanimidamide;prop-1-ene
SMILESC=C(CC)/C(=N\C)Nc1cc(C)[nH]n1.C=CC
InChIInChI=1S/C10H16N4.C3H6/c1-5-7(2)10(11-4)12-9-6-8(3)13-14-9;1-3-2/h6H,2,5H2,1,3-4H3,(H2,11,12,13,14);3H,1H2,2H3
InChIKeyYNEYQLXESWVAPI-UHFFFAOYSA-N
MW234.35 g/mol
LogP3.32
Rot. Bonds3

About N'-methyl-2-methylidene-N-(5-methyl-1H-pyrazol-3-yl)butanimidamide;prop-1-ene

N'-methyl-2-methylidene-N-(5-methyl-1H-pyrazol-3-yl)butanimidamide;prop-1-ene (PubChem CID 145169801) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is N'-methyl-2-methylidene-N-(5-methyl-1H-pyrazol-3-yl)butanimidamide;prop-1-ene.

Molecular Properties

Compound NameN'-methyl-2-methylidene-N-(5-methyl-1H-pyrazol-3-yl)butanimidamide;prop-1-ene
PubChem CID145169801
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC NameN'-methyl-2-methylidene-N-(5-methyl-1H-pyrazol-3-yl)butanimidamide;prop-1-ene
SMILESC=C(CC)/C(=N\C)Nc1cc(C)[nH]n1.C=CC
InChIInChI=1S/C10H16N4.C3H6/c1-5-7(2)10(11-4)12-9-6-8(3)13-14-9;1-3-2/h6H,2,5H2,1,3-4H3,(H2,11,12,13,14);3H,1H2,2H3
InChIKeyYNEYQLXESWVAPI-UHFFFAOYSA-N
XLogP3.32
TPSA53.07 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 53.32
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-methyl-2-methylidene-N-(5-methyl-1H-pyrazol-3-yl)butanimidamide;prop-1-ene?
The IUPAC name of N'-methyl-2-methylidene-N-(5-methyl-1H-pyrazol-3-yl)butanimidamide;prop-1-ene (CID 145169801) is N'-methyl-2-methylidene-N-(5-methyl-1H-pyrazol-3-yl)butanimidamide;prop-1-ene.
What is the SMILES notation for N'-methyl-2-methylidene-N-(5-methyl-1H-pyrazol-3-yl)butanimidamide;prop-1-ene?
The canonical SMILES for N'-methyl-2-methylidene-N-(5-methyl-1H-pyrazol-3-yl)butanimidamide;prop-1-ene is C=C(CC)/C(=N\C)Nc1cc(C)[nH]n1.C=CC.
What is the InChIKey of N'-methyl-2-methylidene-N-(5-methyl-1H-pyrazol-3-yl)butanimidamide;prop-1-ene?
The InChIKey is YNEYQLXESWVAPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4.C3H6/c1-5-7(2)10(11-4)12-9-6-8(3)13-14-9;1-3-2/h6H,2,5H2,1,3-4H3,(H2,11,12,13,14);3H,1H2,2H3.
What are the key properties of N'-methyl-2-methylidene-N-(5-methyl-1H-pyrazol-3-yl)butanimidamide;prop-1-ene?
N'-methyl-2-methylidene-N-(5-methyl-1H-pyrazol-3-yl)butanimidamide;prop-1-ene has a molecular weight of 234.35 g/mol, XLogP of 3.32, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-2-methylidene-N-(5-methyl-1H-pyrazol-3-yl)butanimidamide;prop-1-ene is sourced from PubChem (CID 145169801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).