N'-[(Z)-1-aminopropylideneamino]-3,5-dimethylpyrazole-1-carboximidamide

C9H16N6 — CID 145003152

IUPACN'-[(Z)-1-aminopropylideneamino]-3,5-dimethylpyrazole-1-carboximidamide
SMILESCC/C(N)=N/N=C(\N)n1nc(C)cc1C
InChIInChI=1S/C9H16N6/c1-4-8(10)12-13-9(11)15-7(3)5-6(2)14-15/h5H,4H2,1-3H3,(H2,10,12)(H2,11,13)
InChIKeySJSLGPUCQGOFLM-UHFFFAOYSA-N
MW208.27 g/mol
LogP0.34
Rot. Bonds2

About N'-[(Z)-1-aminopropylideneamino]-3,5-dimethylpyrazole-1-carboximidamide

N'-[(Z)-1-aminopropylideneamino]-3,5-dimethylpyrazole-1-carboximidamide (PubChem CID 145003152) has the molecular formula C9H16N6 and a molecular weight of 208.27 g/mol. Its IUPAC name is N'-[(Z)-1-aminopropylideneamino]-3,5-dimethylpyrazole-1-carboximidamide.

Molecular Properties

Compound NameN'-[(Z)-1-aminopropylideneamino]-3,5-dimethylpyrazole-1-carboximidamide
PubChem CID145003152
Molecular FormulaC9H16N6
Molecular Weight208.27 g/mol
Exact Mass208.14
IUPAC NameN'-[(Z)-1-aminopropylideneamino]-3,5-dimethylpyrazole-1-carboximidamide
SMILESCC/C(N)=N/N=C(\N)n1nc(C)cc1C
InChIInChI=1S/C9H16N6/c1-4-8(10)12-13-9(11)15-7(3)5-6(2)14-15/h5H,4H2,1-3H3,(H2,10,12)(H2,11,13)
InChIKeySJSLGPUCQGOFLM-UHFFFAOYSA-N
XLogP0.34
TPSA94.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.27
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-1-aminopropylideneamino]-3,5-dimethylpyrazole-1-carboximidamide?
The IUPAC name of N'-[(Z)-1-aminopropylideneamino]-3,5-dimethylpyrazole-1-carboximidamide (CID 145003152) is N'-[(Z)-1-aminopropylideneamino]-3,5-dimethylpyrazole-1-carboximidamide.
What is the SMILES notation for N'-[(Z)-1-aminopropylideneamino]-3,5-dimethylpyrazole-1-carboximidamide?
The canonical SMILES for N'-[(Z)-1-aminopropylideneamino]-3,5-dimethylpyrazole-1-carboximidamide is CC/C(N)=N/N=C(\N)n1nc(C)cc1C.
What is the InChIKey of N'-[(Z)-1-aminopropylideneamino]-3,5-dimethylpyrazole-1-carboximidamide?
The InChIKey is SJSLGPUCQGOFLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N6/c1-4-8(10)12-13-9(11)15-7(3)5-6(2)14-15/h5H,4H2,1-3H3,(H2,10,12)(H2,11,13).
What are the key properties of N'-[(Z)-1-aminopropylideneamino]-3,5-dimethylpyrazole-1-carboximidamide?
N'-[(Z)-1-aminopropylideneamino]-3,5-dimethylpyrazole-1-carboximidamide has a molecular weight of 208.27 g/mol, XLogP of 0.34, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-1-aminopropylideneamino]-3,5-dimethylpyrazole-1-carboximidamide is sourced from PubChem (CID 145003152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).