ethane;N-(4-ethenyl-1-methylpyrazol-5-yl)methanimine

C13H27N3 — CID 143245811

IUPACethane;N-(4-ethenyl-1-methylpyrazol-5-yl)methanimine
SMILESC=Cc1cnn(C)c1N=C.CC.CC.CC
InChIInChI=1S/C7H9N3.3C2H6/c1-4-6-5-9-10(3)7(6)8-2;3*1-2/h4-5H,1-2H2,3H3;3*1-2H3
InChIKeyKGICOGOSBRDQSW-UHFFFAOYSA-N
MW225.38 g/mol
LogP4.47
Rot. Bonds2

About ethane;N-(4-ethenyl-1-methylpyrazol-5-yl)methanimine

ethane;N-(4-ethenyl-1-methylpyrazol-5-yl)methanimine (PubChem CID 143245811) has the molecular formula C13H27N3 and a molecular weight of 225.38 g/mol. Its IUPAC name is ethane;N-(4-ethenyl-1-methylpyrazol-5-yl)methanimine.

Molecular Properties

Compound Nameethane;N-(4-ethenyl-1-methylpyrazol-5-yl)methanimine
PubChem CID143245811
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC Nameethane;N-(4-ethenyl-1-methylpyrazol-5-yl)methanimine
SMILESC=Cc1cnn(C)c1N=C.CC.CC.CC
InChIInChI=1S/C7H9N3.3C2H6/c1-4-6-5-9-10(3)7(6)8-2;3*1-2/h4-5H,1-2H2,3H3;3*1-2H3
InChIKeyKGICOGOSBRDQSW-UHFFFAOYSA-N
XLogP4.47
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-ethenyl-1-methyl-1H-pyrazole
CID 21825964
1,4-Dimethyl-1H-pyrazol-5-amine
CID 12847948
1-Butyl-4-Methyl-1H-Pyrazol-5-Amine
CID 21455559
1,4-dimethyl-1H-pyrazol-5-amine hydrochloride
CID 23330507
1-Isobutyl-4-methyl-1H-pyrazol-5-amine
CID 21455612
4-Ethyl-1-methyl-1H-pyrazol-5-amine
CID 22456644
4-Methyl-1-prop-2-enylpyrazol-5-amine
CID 70487045
4-ethenyl-1-ethyl-1H-pyrazole
CID 80121450
N,1-dimethyl-4-prop-1-en-2-ylpyrazol-5-amine
CID 91044586
(Z)-N-(1,4-dimethylpyrazol-5-yl)prop-2-en-1-imine
CID 117609518
N,N,4-trimethyl-1-propylpyrazol-5-amine
CID 123221534
1-methyl-6H-pyrazolo[5,4-b]azepine
CID 123366036

Frequently Asked Questions

What is the IUPAC name of ethane;N-(4-ethenyl-1-methylpyrazol-5-yl)methanimine?
The IUPAC name of ethane;N-(4-ethenyl-1-methylpyrazol-5-yl)methanimine (CID 143245811) is ethane;N-(4-ethenyl-1-methylpyrazol-5-yl)methanimine.
What is the SMILES notation for ethane;N-(4-ethenyl-1-methylpyrazol-5-yl)methanimine?
The canonical SMILES for ethane;N-(4-ethenyl-1-methylpyrazol-5-yl)methanimine is C=Cc1cnn(C)c1N=C.CC.CC.CC.
What is the InChIKey of ethane;N-(4-ethenyl-1-methylpyrazol-5-yl)methanimine?
The InChIKey is KGICOGOSBRDQSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3.3C2H6/c1-4-6-5-9-10(3)7(6)8-2;3*1-2/h4-5H,1-2H2,3H3;3*1-2H3.
What are the key properties of ethane;N-(4-ethenyl-1-methylpyrazol-5-yl)methanimine?
ethane;N-(4-ethenyl-1-methylpyrazol-5-yl)methanimine has a molecular weight of 225.38 g/mol, XLogP of 4.47, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(4-ethenyl-1-methylpyrazol-5-yl)methanimine is sourced from PubChem (CID 143245811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).