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

C10H17N3 — CID 143895935

IUPACethane;(Z)-N-(4-ethenyl-1-methylpyrazol-5-yl)ethanimine
SMILESC=Cc1cnn(C)c1/N=C\C.CC
InChIInChI=1S/C8H11N3.C2H6/c1-4-7-6-10-11(3)8(7)9-5-2;1-2/h4-6H,1H2,2-3H3;1-2H3/b9-5-;
InChIKeyHBVPOMKHHQLBBZ-UYTGOYFPSA-N
MW179.27 g/mol
LogP2.81
Rot. Bonds2

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

ethane;(Z)-N-(4-ethenyl-1-methylpyrazol-5-yl)ethanimine (PubChem CID 143895935) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is ethane;(Z)-N-(4-ethenyl-1-methylpyrazol-5-yl)ethanimine.

Molecular Properties

Compound Nameethane;(Z)-N-(4-ethenyl-1-methylpyrazol-5-yl)ethanimine
PubChem CID143895935
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Nameethane;(Z)-N-(4-ethenyl-1-methylpyrazol-5-yl)ethanimine
SMILESC=Cc1cnn(C)c1/N=C\C.CC
InChIInChI=1S/C8H11N3.C2H6/c1-4-7-6-10-11(3)8(7)9-5-2;1-2/h4-6H,1H2,2-3H3;1-2H3/b9-5-;
InChIKeyHBVPOMKHHQLBBZ-UYTGOYFPSA-N
XLogP2.81
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 52.81
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
4-Methyl-1-prop-2-enylpyrazol-5-amine
CID 70487045
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
1-Methyl-4-pent-1-enylpyrazol-5-amine
CID 123377825
N-(2-ethenylpyrazol-3-yl)propan-1-imine
CID 123421640
4-ethenyl-N,1-dimethylpyrazol-5-amine
CID 123431681
4-(2-Methoxyethenyl)-1,2-dimethylpyrazol-2-ium-5-amine
CID 123864326
N-(2-prop-1-enylpyrazol-3-yl)methanimine
CID 123949727

Frequently Asked Questions

What is the IUPAC name of ethane;(Z)-N-(4-ethenyl-1-methylpyrazol-5-yl)ethanimine?
The IUPAC name of ethane;(Z)-N-(4-ethenyl-1-methylpyrazol-5-yl)ethanimine (CID 143895935) is ethane;(Z)-N-(4-ethenyl-1-methylpyrazol-5-yl)ethanimine.
What is the SMILES notation for ethane;(Z)-N-(4-ethenyl-1-methylpyrazol-5-yl)ethanimine?
The canonical SMILES for ethane;(Z)-N-(4-ethenyl-1-methylpyrazol-5-yl)ethanimine is C=Cc1cnn(C)c1/N=C\C.CC.
What is the InChIKey of ethane;(Z)-N-(4-ethenyl-1-methylpyrazol-5-yl)ethanimine?
The InChIKey is HBVPOMKHHQLBBZ-UYTGOYFPSA-N. The full InChI is InChI=1S/C8H11N3.C2H6/c1-4-7-6-10-11(3)8(7)9-5-2;1-2/h4-6H,1H2,2-3H3;1-2H3/b9-5-;.
What are the key properties of ethane;(Z)-N-(4-ethenyl-1-methylpyrazol-5-yl)ethanimine?
ethane;(Z)-N-(4-ethenyl-1-methylpyrazol-5-yl)ethanimine has a molecular weight of 179.27 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z)-N-(4-ethenyl-1-methylpyrazol-5-yl)ethanimine is sourced from PubChem (CID 143895935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).