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

C11H18N4 — CID 145169746

IUPACN'-methyl-N-(5-methyl-1H-pyrazol-3-yl)prop-2-enimidamide;prop-1-ene
SMILESC=C/C(=N\C)Nc1cc(C)[nH]n1.C=CC
InChIInChI=1S/C8H12N4.C3H6/c1-4-7(9-3)10-8-5-6(2)11-12-8;1-3-2/h4-5H,1H2,2-3H3,(H2,9,10,11,12);3H,1H2,2H3
InChIKeySOHDWEFCZUIKSX-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.54
Rot. Bonds2

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

N'-methyl-N-(5-methyl-1H-pyrazol-3-yl)prop-2-enimidamide;prop-1-ene (PubChem CID 145169746) has the molecular formula C11H18N4 and a molecular weight of 206.29 g/mol. Its IUPAC name is N'-methyl-N-(5-methyl-1H-pyrazol-3-yl)prop-2-enimidamide;prop-1-ene.

Molecular Properties

Compound NameN'-methyl-N-(5-methyl-1H-pyrazol-3-yl)prop-2-enimidamide;prop-1-ene
PubChem CID145169746
Molecular FormulaC11H18N4
Molecular Weight206.29 g/mol
Exact Mass206.15
IUPAC NameN'-methyl-N-(5-methyl-1H-pyrazol-3-yl)prop-2-enimidamide;prop-1-ene
SMILESC=C/C(=N\C)Nc1cc(C)[nH]n1.C=CC
InChIInChI=1S/C8H12N4.C3H6/c1-4-7(9-3)10-8-5-6(2)11-12-8;1-3-2/h4-5H,1H2,2-3H3,(H2,9,10,11,12);3H,1H2,2H3
InChIKeySOHDWEFCZUIKSX-UHFFFAOYSA-N
XLogP2.54
TPSA53.07 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.54
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-N-(5-methyl-1H-pyrazol-3-yl)prop-2-enimidamide;prop-1-ene?
The IUPAC name of N'-methyl-N-(5-methyl-1H-pyrazol-3-yl)prop-2-enimidamide;prop-1-ene (CID 145169746) is N'-methyl-N-(5-methyl-1H-pyrazol-3-yl)prop-2-enimidamide;prop-1-ene.
What is the SMILES notation for N'-methyl-N-(5-methyl-1H-pyrazol-3-yl)prop-2-enimidamide;prop-1-ene?
The canonical SMILES for N'-methyl-N-(5-methyl-1H-pyrazol-3-yl)prop-2-enimidamide;prop-1-ene is C=C/C(=N\C)Nc1cc(C)[nH]n1.C=CC.
What is the InChIKey of N'-methyl-N-(5-methyl-1H-pyrazol-3-yl)prop-2-enimidamide;prop-1-ene?
The InChIKey is SOHDWEFCZUIKSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4.C3H6/c1-4-7(9-3)10-8-5-6(2)11-12-8;1-3-2/h4-5H,1H2,2-3H3,(H2,9,10,11,12);3H,1H2,2H3.
What are the key properties of N'-methyl-N-(5-methyl-1H-pyrazol-3-yl)prop-2-enimidamide;prop-1-ene?
N'-methyl-N-(5-methyl-1H-pyrazol-3-yl)prop-2-enimidamide;prop-1-ene has a molecular weight of 206.29 g/mol, XLogP of 2.54, 2 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)prop-2-enimidamide;prop-1-ene is sourced from PubChem (CID 145169746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).