N'-ethenyl-1-[1-ethenyl-5-(methylideneamino)pyrazol-4-yl]ethane-1,2-diimine

C10H11N5 — CID 143440225

IUPACN'-ethenyl-1-[1-ethenyl-5-(methylideneamino)pyrazol-4-yl]ethane-1,2-diimine
SMILES[H]/N=C(\C=N\C=C)c1cnn(C=C)c1N=C
InChIInChI=1S/C10H11N5/c1-4-13-7-9(11)8-6-14-15(5-2)10(8)12-3/h4-7,11H,1-3H2/b11-9+,13-7+
InChIKeyMYHKXLGIQAZDTD-KWVJHJQVSA-N
MW201.23 g/mol
LogP1.90
Rot. Bonds5

About N'-ethenyl-1-[1-ethenyl-5-(methylideneamino)pyrazol-4-yl]ethane-1,2-diimine

N'-ethenyl-1-[1-ethenyl-5-(methylideneamino)pyrazol-4-yl]ethane-1,2-diimine (PubChem CID 143440225) has the molecular formula C10H11N5 and a molecular weight of 201.23 g/mol. Its IUPAC name is N'-ethenyl-1-[1-ethenyl-5-(methylideneamino)pyrazol-4-yl]ethane-1,2-diimine.

Molecular Properties

Compound NameN'-ethenyl-1-[1-ethenyl-5-(methylideneamino)pyrazol-4-yl]ethane-1,2-diimine
PubChem CID143440225
Molecular FormulaC10H11N5
Molecular Weight201.23 g/mol
Exact Mass201.10
IUPAC NameN'-ethenyl-1-[1-ethenyl-5-(methylideneamino)pyrazol-4-yl]ethane-1,2-diimine
SMILES[H]/N=C(\C=N\C=C)c1cnn(C=C)c1N=C
InChIInChI=1S/C10H11N5/c1-4-13-7-9(11)8-6-14-15(5-2)10(8)12-3/h4-7,11H,1-3H2/b11-9+,13-7+
InChIKeyMYHKXLGIQAZDTD-KWVJHJQVSA-N
XLogP1.90
TPSA66.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-isopropyl-1-methyl-1H-pyrazol-5-amine
CID 20823874
4-ethyl-1-isopropyl-1H-pyrazol-5-amine
CID 126480383
1-cyclopropyl-4-ethyl-1H-pyrazol-5-amine
CID 126480384
2-(5-Amino-1-methyl-1H-pyrazol-4-yl)acetonitrile
CID 10240863
4-(2-Aminoethyl)-1-methyl-1H-pyrazol-5-amine dihydrochloride
CID 17961976
4-(2-Aminoethyl)-1-methyl-1H-pyrazol-5-amine
CID 17961977
1,4-Diethylpyrazol-3-amine
CID 19002206
4-Ethyl-1-methyl-1H-pyrazol-5-amine
CID 22456644
4-(2-Aminoethyl)-1,2-dimethylpyrazol-2-ium-5-amine
CID 59731476
1,4,5-trimethyl-4H-pyrazolo[5,4-d]pyrimidine
CID 60079232
4-(tert-butyl)-1-methyl-1H-pyrazol-5-amine
CID 68056404
5-Amino-1-tert-butyl-4-ethylpyrazole
CID 68938283

Frequently Asked Questions

What is the IUPAC name of N'-ethenyl-1-[1-ethenyl-5-(methylideneamino)pyrazol-4-yl]ethane-1,2-diimine?
The IUPAC name of N'-ethenyl-1-[1-ethenyl-5-(methylideneamino)pyrazol-4-yl]ethane-1,2-diimine (CID 143440225) is N'-ethenyl-1-[1-ethenyl-5-(methylideneamino)pyrazol-4-yl]ethane-1,2-diimine.
What is the SMILES notation for N'-ethenyl-1-[1-ethenyl-5-(methylideneamino)pyrazol-4-yl]ethane-1,2-diimine?
The canonical SMILES for N'-ethenyl-1-[1-ethenyl-5-(methylideneamino)pyrazol-4-yl]ethane-1,2-diimine is [H]/N=C(\C=N\C=C)c1cnn(C=C)c1N=C.
What is the InChIKey of N'-ethenyl-1-[1-ethenyl-5-(methylideneamino)pyrazol-4-yl]ethane-1,2-diimine?
The InChIKey is MYHKXLGIQAZDTD-KWVJHJQVSA-N. The full InChI is InChI=1S/C10H11N5/c1-4-13-7-9(11)8-6-14-15(5-2)10(8)12-3/h4-7,11H,1-3H2/b11-9+,13-7+.
What are the key properties of N'-ethenyl-1-[1-ethenyl-5-(methylideneamino)pyrazol-4-yl]ethane-1,2-diimine?
N'-ethenyl-1-[1-ethenyl-5-(methylideneamino)pyrazol-4-yl]ethane-1,2-diimine has a molecular weight of 201.23 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethenyl-1-[1-ethenyl-5-(methylideneamino)pyrazol-4-yl]ethane-1,2-diimine is sourced from PubChem (CID 143440225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).