N-[2-ethyl-1-(2-propan-2-yl-3,4-dihydropyrazol-3-yl)penta-1,3-dienyl]methanimine

C14H23N3 — CID 123740244

IUPACN-[2-ethyl-1-(2-propan-2-yl-3,4-dihydropyrazol-3-yl)penta-1,3-dienyl]methanimine
SMILESC=NC(=C(C=CC)CC)C1CC=NN1C(C)C
InChIInChI=1S/C14H23N3/c1-6-8-12(7-2)14(15-5)13-9-10-16-17(13)11(3)4/h6,8,10-11,13H,5,7,9H2,1-4H3
InChIKeyOUBUORKLZPQJNR-UHFFFAOYSA-N
MW233.36 g/mol
LogP3.40
Rot. Bonds5

About N-[2-ethyl-1-(2-propan-2-yl-3,4-dihydropyrazol-3-yl)penta-1,3-dienyl]methanimine

N-[2-ethyl-1-(2-propan-2-yl-3,4-dihydropyrazol-3-yl)penta-1,3-dienyl]methanimine (PubChem CID 123740244) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is N-[2-ethyl-1-(2-propan-2-yl-3,4-dihydropyrazol-3-yl)penta-1,3-dienyl]methanimine.

Molecular Properties

Compound NameN-[2-ethyl-1-(2-propan-2-yl-3,4-dihydropyrazol-3-yl)penta-1,3-dienyl]methanimine
PubChem CID123740244
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC NameN-[2-ethyl-1-(2-propan-2-yl-3,4-dihydropyrazol-3-yl)penta-1,3-dienyl]methanimine
SMILESC=NC(=C(C=CC)CC)C1CC=NN1C(C)C
InChIInChI=1S/C14H23N3/c1-6-8-12(7-2)14(15-5)13-9-10-16-17(13)11(3)4/h6,8,10-11,13H,5,7,9H2,1-4H3
InChIKeyOUBUORKLZPQJNR-UHFFFAOYSA-N
XLogP3.40
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N-diethyl-2-(5-ethylidene-4-methylidenepyrazol-1-yl)ethanamine
CID 123158636
(4E,5E)-1-butan-2-yl-5-[(Z)-but-2-enylidene]-4-ethylidenepyrazole
CID 129157344
(4E,5E)-1-propan-2-yl-4,5-bis(prop-2-enylidene)pyrazole
CID 134342636
(1Z,3Z)-1-(2-methyl-3,4-dihydropyrazol-3-yl)hexa-1,3,5-trien-1-amine
CID 141787126
(5E)-5-[(Z)-but-2-enylidene]-4-methylidene-1-propan-2-ylpyrazole
CID 142300294
2-butyl-3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-3,4-dihydropyrazole
CID 143778931
ethane;3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-2-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]-3,4-dihydropyrazole
CID 144847856
(4E,5E)-5-ethylidene-1-propan-2-yl-4-prop-2-enylidenepyrazole
CID 155378094
(5E)-4-ethyl-1-methyl-5-[(Z)-pent-3-en-2-ylidene]-4H-pyrazole
CID 163998709
(2E)-N-methyl-2-(4-methylidene-2-propan-2-ylpyrazol-3-ylidene)ethanimine
CID 177160581
3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-2-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]-3,4-dihydropyrazole
CID 144847857
2-Cyclohexa-1,5-dien-1-yl-3,4-dimethyl-3,4-dihydropyrazole
CID 164085078

Frequently Asked Questions

What is the IUPAC name of N-[2-ethyl-1-(2-propan-2-yl-3,4-dihydropyrazol-3-yl)penta-1,3-dienyl]methanimine?
The IUPAC name of N-[2-ethyl-1-(2-propan-2-yl-3,4-dihydropyrazol-3-yl)penta-1,3-dienyl]methanimine (CID 123740244) is N-[2-ethyl-1-(2-propan-2-yl-3,4-dihydropyrazol-3-yl)penta-1,3-dienyl]methanimine.
What is the SMILES notation for N-[2-ethyl-1-(2-propan-2-yl-3,4-dihydropyrazol-3-yl)penta-1,3-dienyl]methanimine?
The canonical SMILES for N-[2-ethyl-1-(2-propan-2-yl-3,4-dihydropyrazol-3-yl)penta-1,3-dienyl]methanimine is C=NC(=C(C=CC)CC)C1CC=NN1C(C)C.
What is the InChIKey of N-[2-ethyl-1-(2-propan-2-yl-3,4-dihydropyrazol-3-yl)penta-1,3-dienyl]methanimine?
The InChIKey is OUBUORKLZPQJNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-6-8-12(7-2)14(15-5)13-9-10-16-17(13)11(3)4/h6,8,10-11,13H,5,7,9H2,1-4H3.
What are the key properties of N-[2-ethyl-1-(2-propan-2-yl-3,4-dihydropyrazol-3-yl)penta-1,3-dienyl]methanimine?
N-[2-ethyl-1-(2-propan-2-yl-3,4-dihydropyrazol-3-yl)penta-1,3-dienyl]methanimine has a molecular weight of 233.36 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-ethyl-1-(2-propan-2-yl-3,4-dihydropyrazol-3-yl)penta-1,3-dienyl]methanimine is sourced from PubChem (CID 123740244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).