N-[(E)-1-(4-ethoxyphenyl)ethylideneamino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide

C17H20N4O2 — CID 5405927

IUPACN-[(E)-1-(4-ethoxyphenyl)ethylideneamino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
SMILESCCOc1ccc(/C(C)=N/NC(=O)c2n[nH]c3c2CCC3)cc1
InChIInChI=1S/C17H20N4O2/c1-3-23-13-9-7-12(8-10-13)11(2)18-21-17(22)16-14-5-4-6-15(14)19-20-16/h7-10H,3-6H2,1-2H3,(H,19,20)(H,21,22)/b18-11+
InChIKeyPJDGZUTZQWVUCS-WOJGMQOQSA-N
MW312.37 g/mol
LogP2.45
Rot. Bonds5

About N-[(E)-1-(4-ethoxyphenyl)ethylideneamino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide

N-[(E)-1-(4-ethoxyphenyl)ethylideneamino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide (PubChem CID 5405927) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-[(E)-1-(4-ethoxyphenyl)ethylideneamino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-1-(4-ethoxyphenyl)ethylideneamino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
PubChem CID5405927
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC NameN-[(E)-1-(4-ethoxyphenyl)ethylideneamino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
SMILESCCOc1ccc(/C(C)=N/NC(=O)c2n[nH]c3c2CCC3)cc1
InChIInChI=1S/C17H20N4O2/c1-3-23-13-9-7-12(8-10-13)11(2)18-21-17(22)16-14-5-4-6-15(14)19-20-16/h7-10H,3-6H2,1-2H3,(H,19,20)(H,21,22)/b18-11+
InChIKeyPJDGZUTZQWVUCS-WOJGMQOQSA-N
XLogP2.45
TPSA79.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(4-fluorophenyl)ethylideneamino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 3975451
N-(4-ethoxyphenyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 110388915
N-(butan-2-ylideneamino)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 872955
N-[1-(4-ethoxyphenyl)ethylideneamino]-4-fluorobenzamide
CID 3617176
N-[(Z)-1-(furan-2-yl)ethylideneamino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 6052947
N-(1-phenylpropylideneamino)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 3455772
N-[1-(4-ethoxyphenyl)ethylideneamino]benzamide
CID 912000
2-[4-[(Z)-N-[(4-ethoxybenzoyl)amino]-C-methylcarbonimidoyl]phenoxy]acetate
CID 9214754
3-(4-ethoxyphenyl)-N-[1-(4-methylphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide
CID 4102387
N-(3-ethoxyphenyl)-4,5,6,7,8,9-hexahydro-1H-cycloocta[d]pyrazole-3-carboxamide
CID 110089442
N-[(Z)-1-(4-aminophenyl)ethylideneamino]-4-ethoxybenzamide
CID 6375501
N-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 9462712

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(4-ethoxyphenyl)ethylideneamino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The IUPAC name of N-[(E)-1-(4-ethoxyphenyl)ethylideneamino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide (CID 5405927) is N-[(E)-1-(4-ethoxyphenyl)ethylideneamino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide.
What is the SMILES notation for N-[(E)-1-(4-ethoxyphenyl)ethylideneamino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The canonical SMILES for N-[(E)-1-(4-ethoxyphenyl)ethylideneamino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide is CCOc1ccc(/C(C)=N/NC(=O)c2n[nH]c3c2CCC3)cc1.
What is the InChIKey of N-[(E)-1-(4-ethoxyphenyl)ethylideneamino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The InChIKey is PJDGZUTZQWVUCS-WOJGMQOQSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-3-23-13-9-7-12(8-10-13)11(2)18-21-17(22)16-14-5-4-6-15(14)19-20-16/h7-10H,3-6H2,1-2H3,(H,19,20)(H,21,22)/b18-11+.
What are the key properties of N-[(E)-1-(4-ethoxyphenyl)ethylideneamino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
N-[(E)-1-(4-ethoxyphenyl)ethylideneamino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(4-ethoxyphenyl)ethylideneamino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 5405927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).