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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Related Compounds

3,5-dimethylpyrazole-1-carbothioamide
CID 706477
[(Z)-[(2Z)-2-acetyloxyimino-1,2-bis(3,5-dimethylpyrazol-1-yl)ethylidene]amino] acetate
CID 16760866
3,5-dimethyl-1-prop-1-en-2-ylpyrazole
CID 144858886
2-bromo-1-(3,5-dimethylpyrazol-1-yl)ethanone
CID 12791875
2-(3,5-dimethylpyrazol-1-yl)guanidine
CID 6453090
(Z)-1,4-bis(3,5-dimethylpyrazol-1-yl)but-2-ene-1,4-dione
CID 5412984
1-(3,5-dimethylpyrazol-1-yl)nonan-1-one
CID 3287387
tert-butyl 4-[[amino-(3,5-dimethylpyrazol-1-yl)methylidene]carbamothioylamino]butanoate
CID 158134564
1-ethyl-3,5-dimethylpyrazole
CID 565993
3,4,4-trichloro-1-(3,5-dimethylpyrazol-1-yl)but-3-en-1-one
CID 3891086
5-amino-3-methylpyrazole-1-carbothioamide
CID 102476487
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(3,5-dimethylpyrazol-1-yl)ethanone
CID 6499812

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).