N-[(Z)-1-(2,4-dichlorophenyl)ethylideneamino]-3-(1,2-dihydroacenaphthylen-5-yl)-1H-pyrazole-5-carboxamide

C24H18Cl2N4O — CID 6262458

IUPACN-[(Z)-1-(2,4-dichlorophenyl)ethylideneamino]-3-(1,2-dihydroacenaphthylen-5-yl)-1H-pyrazole-5-carboxamide
SMILESC/C(=N/NC(=O)c1cc(-c2ccc3c4c(cccc24)CC3)n[nH]1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C24H18Cl2N4O/c1-13(17-10-8-16(25)11-20(17)26)27-30-24(31)22-12-21(28-29-22)18-9-7-15-6-5-14-3-2-4-19(18)23(14)15/h2-4,7-12H,5-6H2,1H3,(H,28,29)(H,30,31)/b27-13-
InChIKeyKETJLSRPJXHMSC-WKIKZPBSSA-N
MW449.34 g/mol
LogP5.79
Rot. Bonds4

About N-[(Z)-1-(2,4-dichlorophenyl)ethylideneamino]-3-(1,2-dihydroacenaphthylen-5-yl)-1H-pyrazole-5-carboxamide

N-[(Z)-1-(2,4-dichlorophenyl)ethylideneamino]-3-(1,2-dihydroacenaphthylen-5-yl)-1H-pyrazole-5-carboxamide (PubChem CID 6262458) has the molecular formula C24H18Cl2N4O and a molecular weight of 449.34 g/mol. Its IUPAC name is N-[(Z)-1-(2,4-dichlorophenyl)ethylideneamino]-3-(1,2-dihydroacenaphthylen-5-yl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(Z)-1-(2,4-dichlorophenyl)ethylideneamino]-3-(1,2-dihydroacenaphthylen-5-yl)-1H-pyrazole-5-carboxamide
PubChem CID6262458
Molecular FormulaC24H18Cl2N4O
Molecular Weight449.34 g/mol
Exact Mass448.09
IUPAC NameN-[(Z)-1-(2,4-dichlorophenyl)ethylideneamino]-3-(1,2-dihydroacenaphthylen-5-yl)-1H-pyrazole-5-carboxamide
SMILESC/C(=N/NC(=O)c1cc(-c2ccc3c4c(cccc24)CC3)n[nH]1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C24H18Cl2N4O/c1-13(17-10-8-16(25)11-20(17)26)27-30-24(31)22-12-21(28-29-22)18-9-7-15-6-5-14-3-2-4-19(18)23(14)15/h2-4,7-12H,5-6H2,1H3,(H,28,29)(H,30,31)/b27-13-
InChIKeyKETJLSRPJXHMSC-WKIKZPBSSA-N
XLogP5.79
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.34
LogP ≤ 55.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

3-(1,2-dihydroacenaphthylen-5-yl)-N-[(Z)-1-(4-methylphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide
CID 6074224
N-[(Z)-1-(4-aminophenyl)ethylideneamino]-3-(1,2-dihydroacenaphthylen-5-yl)-1H-pyrazole-5-carboxamide
CID 6010292
3-(1,2-dihydroacenaphthylen-5-yl)-N-[1-(3-hydroxyphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide
CID 4638228
N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-3-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxamide
CID 6083366
N-[(2-chloro-6-fluorophenyl)methylideneamino]-3-(1,2-dihydroacenaphthylen-5-yl)-1H-pyrazole-5-carboxamide
CID 3640085
N-[(Z)-benzylideneamino]-3-(1,2-dihydroacenaphthylen-5-yl)-1H-pyrazole-5-carboxamide
CID 6023521
N-[1-(1,2-dihydroacenaphthylen-5-yl)ethylideneamino]benzamide
CID 726940
N-[(Z)-(4-bromophenyl)methylideneamino]-3-(1,2-dihydroacenaphthylen-5-yl)-1H-pyrazole-5-carboxamide
CID 6079590
3-(1,2-dihydroacenaphthylen-5-yl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 6006995
3-(1,2-dihydroacenaphthylen-5-yl)-N-[(Z)-[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]-1H-pyrazole-5-carboxamide
CID 6146813
N-[(E)-1-(2,4-dichlorophenyl)ethylideneamino]pyridine-4-carboxamide
CID 6941499
3-(2-chlorophenyl)-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide
CID 135547180

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(2,4-dichlorophenyl)ethylideneamino]-3-(1,2-dihydroacenaphthylen-5-yl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[(Z)-1-(2,4-dichlorophenyl)ethylideneamino]-3-(1,2-dihydroacenaphthylen-5-yl)-1H-pyrazole-5-carboxamide (CID 6262458) is N-[(Z)-1-(2,4-dichlorophenyl)ethylideneamino]-3-(1,2-dihydroacenaphthylen-5-yl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[(Z)-1-(2,4-dichlorophenyl)ethylideneamino]-3-(1,2-dihydroacenaphthylen-5-yl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[(Z)-1-(2,4-dichlorophenyl)ethylideneamino]-3-(1,2-dihydroacenaphthylen-5-yl)-1H-pyrazole-5-carboxamide is C/C(=N/NC(=O)c1cc(-c2ccc3c4c(cccc24)CC3)n[nH]1)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[(Z)-1-(2,4-dichlorophenyl)ethylideneamino]-3-(1,2-dihydroacenaphthylen-5-yl)-1H-pyrazole-5-carboxamide?
The InChIKey is KETJLSRPJXHMSC-WKIKZPBSSA-N. The full InChI is InChI=1S/C24H18Cl2N4O/c1-13(17-10-8-16(25)11-20(17)26)27-30-24(31)22-12-21(28-29-22)18-9-7-15-6-5-14-3-2-4-19(18)23(14)15/h2-4,7-12H,5-6H2,1H3,(H,28,29)(H,30,31)/b27-13-.
What are the key properties of N-[(Z)-1-(2,4-dichlorophenyl)ethylideneamino]-3-(1,2-dihydroacenaphthylen-5-yl)-1H-pyrazole-5-carboxamide?
N-[(Z)-1-(2,4-dichlorophenyl)ethylideneamino]-3-(1,2-dihydroacenaphthylen-5-yl)-1H-pyrazole-5-carboxamide has a molecular weight of 449.34 g/mol, XLogP of 5.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(2,4-dichlorophenyl)ethylideneamino]-3-(1,2-dihydroacenaphthylen-5-yl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 6262458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).