(Z)-2-ethyl-2,4,4,7,9,9-hexamethyl-N-[3-(1H-pyrazol-4-yl)propyl]dec-5-enamide

C24H43N3O — CID 70910318

IUPAC(Z)-2-ethyl-2,4,4,7,9,9-hexamethyl-N-[3-(1H-pyrazol-4-yl)propyl]dec-5-enamide
SMILESCCC(C)(CC(C)(C)/C=C\C(C)CC(C)(C)C)C(=O)NCCCc1cn[nH]c1
InChIInChI=1S/C24H43N3O/c1-9-24(8,21(28)25-14-10-11-20-16-26-27-17-20)18-23(6,7)13-12-19(2)15-22(3,4)5/h12-13,16-17,19H,9-11,14-15,18H2,1-8H3,(H,25,28)(H,26,27)/b13-12-
InChIKeyIJWFXLHOVYDBRT-SEYXRHQNSA-N
MW389.63 g/mol
LogP5.92
Rot. Bonds11

About (Z)-2-ethyl-2,4,4,7,9,9-hexamethyl-N-[3-(1H-pyrazol-4-yl)propyl]dec-5-enamide

(Z)-2-ethyl-2,4,4,7,9,9-hexamethyl-N-[3-(1H-pyrazol-4-yl)propyl]dec-5-enamide (PubChem CID 70910318) has the molecular formula C24H43N3O and a molecular weight of 389.63 g/mol. Its IUPAC name is (Z)-2-ethyl-2,4,4,7,9,9-hexamethyl-N-[3-(1H-pyrazol-4-yl)propyl]dec-5-enamide.

Molecular Properties

Compound Name(Z)-2-ethyl-2,4,4,7,9,9-hexamethyl-N-[3-(1H-pyrazol-4-yl)propyl]dec-5-enamide
PubChem CID70910318
Molecular FormulaC24H43N3O
Molecular Weight389.63 g/mol
Exact Mass389.34
IUPAC Name(Z)-2-ethyl-2,4,4,7,9,9-hexamethyl-N-[3-(1H-pyrazol-4-yl)propyl]dec-5-enamide
SMILESCCC(C)(CC(C)(C)/C=C\C(C)CC(C)(C)C)C(=O)NCCCc1cn[nH]c1
InChIInChI=1S/C24H43N3O/c1-9-24(8,21(28)25-14-10-11-20-16-26-27-17-20)18-23(6,7)13-12-19(2)15-22(3,4)5/h12-13,16-17,19H,9-11,14-15,18H2,1-8H3,(H,25,28)(H,26,27)/b13-12-
InChIKeyIJWFXLHOVYDBRT-SEYXRHQNSA-N
XLogP5.92
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.63
LogP ≤ 55.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z)-2-ethyl-2,4,4,7,9,9-hexamethyl-N-[3-(1H-pyrazol-4-yl)propyl]dec-5-enamide with MolForge

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Related Compounds

4-[3-(N-6-aminocaproyl)aminopropyl]-pyrazole
CID 22754935
N-[(1-Propylcyclobutyl)methyl]-3-(1H-pyrazol-4-YL)propanamide
CID 122562960
N-[1-(2,2-Dimethylpropyl)cyclopropyl]-3-(1H-pyrazol-4-YL)propanamide
CID 124206020
1-[(4S)-4-tert-butylazepan-1-yl]-3-(1H-pyrazol-4-yl)propan-1-one
CID 125525311
2-[(1R)-cyclopent-2-en-1-yl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide
CID 164636546
(Z)-3-cyclopropyl-2-fluoro-N-[3-(1H-pyrazol-4-yl)propyl]but-2-enamide
CID 138013209
3-(1H-Pyrazol-4-YL)-N-(3,3,5,5-tetramethylcyclohexyl)propanamide
CID 118770524
3-amino-N-[3-(1H-pyrazol-4-yl)propyl]propanamide
CID 22754936
2,2-dimethyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propanamide
CID 52332991
5,6-dimethyl-6-(1H-pyrazol-4-yl)cyclohexa-2,4-diene-1-carboxamide
CID 117824321
ethane;(E)-4-methyl-2-[(Z)-prop-1-enyl]-1-[(3S)-3-(1H-pyrazol-4-yl)piperidin-1-yl]pent-2-en-1-one
CID 145069935
(1-methylcyclobutyl)-[4-(1H-pyrazol-4-yl)piperidin-1-yl]methanone;hydrochloride
CID 155194710

Frequently Asked Questions

What is the IUPAC name of (Z)-2-ethyl-2,4,4,7,9,9-hexamethyl-N-[3-(1H-pyrazol-4-yl)propyl]dec-5-enamide?
The IUPAC name of (Z)-2-ethyl-2,4,4,7,9,9-hexamethyl-N-[3-(1H-pyrazol-4-yl)propyl]dec-5-enamide (CID 70910318) is (Z)-2-ethyl-2,4,4,7,9,9-hexamethyl-N-[3-(1H-pyrazol-4-yl)propyl]dec-5-enamide.
What is the SMILES notation for (Z)-2-ethyl-2,4,4,7,9,9-hexamethyl-N-[3-(1H-pyrazol-4-yl)propyl]dec-5-enamide?
The canonical SMILES for (Z)-2-ethyl-2,4,4,7,9,9-hexamethyl-N-[3-(1H-pyrazol-4-yl)propyl]dec-5-enamide is CCC(C)(CC(C)(C)/C=C\C(C)CC(C)(C)C)C(=O)NCCCc1cn[nH]c1.
What is the InChIKey of (Z)-2-ethyl-2,4,4,7,9,9-hexamethyl-N-[3-(1H-pyrazol-4-yl)propyl]dec-5-enamide?
The InChIKey is IJWFXLHOVYDBRT-SEYXRHQNSA-N. The full InChI is InChI=1S/C24H43N3O/c1-9-24(8,21(28)25-14-10-11-20-16-26-27-17-20)18-23(6,7)13-12-19(2)15-22(3,4)5/h12-13,16-17,19H,9-11,14-15,18H2,1-8H3,(H,25,28)(H,26,27)/b13-12-.
What are the key properties of (Z)-2-ethyl-2,4,4,7,9,9-hexamethyl-N-[3-(1H-pyrazol-4-yl)propyl]dec-5-enamide?
(Z)-2-ethyl-2,4,4,7,9,9-hexamethyl-N-[3-(1H-pyrazol-4-yl)propyl]dec-5-enamide has a molecular weight of 389.63 g/mol, XLogP of 5.92, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-ethyl-2,4,4,7,9,9-hexamethyl-N-[3-(1H-pyrazol-4-yl)propyl]dec-5-enamide is sourced from PubChem (CID 70910318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).