ethane;N-(4-ethenyl-1-propan-2-ylpyrazol-3-yl)ethanimine

C14H27N3 — CID 169120955

IUPACethane;N-(4-ethenyl-1-propan-2-ylpyrazol-3-yl)ethanimine
SMILESC=Cc1cn(C(C)C)nc1/N=C/C.CC.CC
InChIInChI=1S/C10H15N3.2C2H6/c1-5-9-7-13(8(3)4)12-10(9)11-6-2;2*1-2/h5-8H,1H2,2-4H3;2*1-2H3/b11-6+;;
InChIKeyRTJWZPPNHKPMNC-QVLKBJGCSA-N
MW237.39 g/mol
LogP4.88
Rot. Bonds3

About ethane;N-(4-ethenyl-1-propan-2-ylpyrazol-3-yl)ethanimine

ethane;N-(4-ethenyl-1-propan-2-ylpyrazol-3-yl)ethanimine (PubChem CID 169120955) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is ethane;N-(4-ethenyl-1-propan-2-ylpyrazol-3-yl)ethanimine.

Molecular Properties

Compound Nameethane;N-(4-ethenyl-1-propan-2-ylpyrazol-3-yl)ethanimine
PubChem CID169120955
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Nameethane;N-(4-ethenyl-1-propan-2-ylpyrazol-3-yl)ethanimine
SMILESC=Cc1cn(C(C)C)nc1/N=C/C.CC.CC
InChIInChI=1S/C10H15N3.2C2H6/c1-5-9-7-13(8(3)4)12-10(9)11-6-2;2*1-2/h5-8H,1H2,2-4H3;2*1-2H3/b11-6+;;
InChIKeyRTJWZPPNHKPMNC-QVLKBJGCSA-N
XLogP4.88
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 54.88
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-[(E)-2,3-dimethylbut-1-enyl]-3-ethenyl-1-propan-2-ylpyrazole
CID 177134617
(Z)-N-(4-ethenyl-1-methylpyrazol-5-yl)ethanimine
CID 143895936
3,4-dimethyl-1-propan-2-ylpyrazole;ethane
CID 144607335
1-propan-2-yl-3-(trifluoromethyl)pyrazole-4-carbaldehyde
CID 139674868
3,4-bis(ethenyl)-1-methylpyrazole;ethane
CID 142981552
2-methyl-1-[1-propan-2-yl-4-[(Z)-prop-1-enyl]pyrazol-3-yl]propan-1-imine
CID 165130789
1-propan-2-yl-3-pyridin-4-ylpyrazole-4-carbaldehyde
CID 61266268
1-pentan-3-yl-3-pent-4-en-2-ylpyrazole-4-carbaldehyde
CID 63162840
N-(4-ethenyl-1H-pyrrol-3-yl)ethanimine
CID 130428866
N-(4-methyl-1-propan-2-ylpyrazol-3-yl)prop-2-enamide
CID 166419383
2-(4-hydroxy-1-propan-2-ylpyrazol-3-yl)-2-methylpropanenitrile
CID 170591875
(4-bromo-1-methylpyrazol-3-yl)-(4-methyl-1-propan-2-ylpyrazol-3-yl)diazene
CID 162540292

Frequently Asked Questions

What is the IUPAC name of ethane;N-(4-ethenyl-1-propan-2-ylpyrazol-3-yl)ethanimine?
The IUPAC name of ethane;N-(4-ethenyl-1-propan-2-ylpyrazol-3-yl)ethanimine (CID 169120955) is ethane;N-(4-ethenyl-1-propan-2-ylpyrazol-3-yl)ethanimine.
What is the SMILES notation for ethane;N-(4-ethenyl-1-propan-2-ylpyrazol-3-yl)ethanimine?
The canonical SMILES for ethane;N-(4-ethenyl-1-propan-2-ylpyrazol-3-yl)ethanimine is C=Cc1cn(C(C)C)nc1/N=C/C.CC.CC.
What is the InChIKey of ethane;N-(4-ethenyl-1-propan-2-ylpyrazol-3-yl)ethanimine?
The InChIKey is RTJWZPPNHKPMNC-QVLKBJGCSA-N. The full InChI is InChI=1S/C10H15N3.2C2H6/c1-5-9-7-13(8(3)4)12-10(9)11-6-2;2*1-2/h5-8H,1H2,2-4H3;2*1-2H3/b11-6+;;.
What are the key properties of ethane;N-(4-ethenyl-1-propan-2-ylpyrazol-3-yl)ethanimine?
ethane;N-(4-ethenyl-1-propan-2-ylpyrazol-3-yl)ethanimine has a molecular weight of 237.39 g/mol, XLogP of 4.88, 3 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-propan-2-ylpyrazol-3-yl)ethanimine is sourced from PubChem (CID 169120955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).