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

C18H13Cl3N4O — CID 6083366

IUPACN-[(Z)-1-(4-chlorophenyl)ethylideneamino]-3-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxamide
SMILESC/C(=N/NC(=O)c1cc(-c2ccc(Cl)cc2Cl)n[nH]1)c1ccc(Cl)cc1
InChIInChI=1S/C18H13Cl3N4O/c1-10(11-2-4-12(19)5-3-11)22-25-18(26)17-9-16(23-24-17)14-7-6-13(20)8-15(14)21/h2-9H,1H3,(H,23,24)(H,25,26)/b22-10-
InChIKeySQPCJTYHRKHKMI-YVNNLAQVSA-N
MW407.69 g/mol
LogP5.19
Rot. Bonds4

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

N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-3-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxamide (PubChem CID 6083366) has the molecular formula C18H13Cl3N4O and a molecular weight of 407.69 g/mol. Its IUPAC name is N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-3-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(Z)-1-(4-chlorophenyl)ethylideneamino]-3-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxamide
PubChem CID6083366
Molecular FormulaC18H13Cl3N4O
Molecular Weight407.69 g/mol
Exact Mass406.02
IUPAC NameN-[(Z)-1-(4-chlorophenyl)ethylideneamino]-3-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxamide
SMILESC/C(=N/NC(=O)c1cc(-c2ccc(Cl)cc2Cl)n[nH]1)c1ccc(Cl)cc1
InChIInChI=1S/C18H13Cl3N4O/c1-10(11-2-4-12(19)5-3-11)22-25-18(26)17-9-16(23-24-17)14-7-6-13(20)8-15(14)21/h2-9H,1H3,(H,23,24)(H,25,26)/b22-10-
InChIKeySQPCJTYHRKHKMI-YVNNLAQVSA-N
XLogP5.19
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.69
LogP ≤ 55.19
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-(2,4-dichlorophenyl)-N-[1-(3,4-dimethoxyphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide
CID 4296248
N-[(E)-1-(4-bromophenyl)ethylideneamino]-3-(4-chlorophenyl)-1H-pyrazole-5-carboxamide
CID 5343142
3-(2-chlorophenyl)-N-(1-pyridin-4-ylethylideneamino)-1H-pyrazole-5-carboxamide
CID 686577
N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-3-(4-propoxyphenyl)-1H-pyrazole-5-carboxamide
CID 6379565
1-N,4-N-bis[(E)-1-(4-chlorophenyl)ethylideneamino]benzene-1,4-dicarboxamide
CID 5338733
N-[(Z)-1-(2,4-dichlorophenyl)ethylideneamino]-3-(1,2-dihydroacenaphthylen-5-yl)-1H-pyrazole-5-carboxamide
CID 6262458
2,4-dichloro-N-[1-(4-chlorophenyl)ethylideneamino]benzamide
CID 904479
3-(2-chlorophenyl)-N-[1-(3-hydroxyphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide
CID 4198779
3-(4-chlorophenyl)-N-(1-naphthalen-2-ylethylideneamino)-1H-pyrazole-5-carboxamide
CID 1362119
methyl 4-[(Z)-[[3-(2,4-dichlorophenyl)-1H-pyrazole-5-carbonyl]hydrazinylidene]methyl]benzoate
CID 5445489
3-(2-chlorophenyl)-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide
CID 135547180
3-(2,4-dichlorophenyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1H-pyrazole-5-carboxamide
CID 91639398

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-3-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-3-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxamide (CID 6083366) is N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-3-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-3-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-3-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxamide is C/C(=N/NC(=O)c1cc(-c2ccc(Cl)cc2Cl)n[nH]1)c1ccc(Cl)cc1.
What is the InChIKey of N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-3-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is SQPCJTYHRKHKMI-YVNNLAQVSA-N. The full InChI is InChI=1S/C18H13Cl3N4O/c1-10(11-2-4-12(19)5-3-11)22-25-18(26)17-9-16(23-24-17)14-7-6-13(20)8-15(14)21/h2-9H,1H3,(H,23,24)(H,25,26)/b22-10-.
What are the key properties of N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-3-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxamide?
N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-3-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 407.69 g/mol, XLogP of 5.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-3-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 6083366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).