3-(4-chlorophenyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide

C18H15ClN4O2 — CID 5342701

IUPAC3-(4-chlorophenyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(/C=N/NC(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)cc1
InChIInChI=1S/C18H15ClN4O2/c1-25-15-8-2-12(3-9-15)11-20-23-18(24)17-10-16(21-22-17)13-4-6-14(19)7-5-13/h2-11H,1H3,(H,21,22)(H,23,24)/b20-11+
InChIKeyPQTVEBFPTXVCRX-RGVLZGJSSA-N
MW354.80 g/mol
LogP3.50
Rot. Bonds5

About 3-(4-chlorophenyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide

3-(4-chlorophenyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide (PubChem CID 5342701) has the molecular formula C18H15ClN4O2 and a molecular weight of 354.80 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
PubChem CID5342701
Molecular FormulaC18H15ClN4O2
Molecular Weight354.80 g/mol
Exact Mass354.09
IUPAC Name3-(4-chlorophenyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(/C=N/NC(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)cc1
InChIInChI=1S/C18H15ClN4O2/c1-25-15-8-2-12(3-9-15)11-20-23-18(24)17-10-16(21-22-17)13-4-6-14(19)7-5-13/h2-11H,1H3,(H,21,22)(H,23,24)/b20-11+
InChIKeyPQTVEBFPTXVCRX-RGVLZGJSSA-N
XLogP3.50
TPSA79.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.80
LogP ≤ 53.50
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

3-(2-methoxyphenyl)-1H-pyrazole-5-carbohydrazide
CID 760982
N-[(E)-1-(3,4-dimethoxyphenyl)ethylideneamino]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 5342941
N'-[(4-methoxyphenyl)acetyl]-3-methyl-1H-pyrazole-5-carbohydrazide
CID 833279
3-(4-chlorophenyl)-N-[(E)-furan-2-ylmethylideneamino]-1H-pyrazole-5-carboxamide
CID 5343127
(E)-3-cyclopropyl-N'-(3,4-dimethoxybenzylidene)-1H-pyrazole-5-carbohydrazide
CID 6867422
3-(4-ethoxyphenyl)-1H-pyrazole-5-carbohydrazide
CID 776488
5-(4-Methoxyphenyl)-1H-pyrazole-3-carboxylic acid hydrazide
CID 801126
(E)-3-(4-chlorophenyl)-N'-(3,4-dimethoxybenzylidene)-1H-pyrazole-5-carbohydrazide
CID 6866068
N'-(5-chloro-2-methoxybenzoyl)-1H-indazole-3-carbohydrazide
CID 4793745
3-(1-adamantyl)-N'-(3-methoxybenzylidene)-1H-pyrazole-5-carbohydrazide
CID 5342857
N'-{[5-(2,3-dichlorophenyl)-2-furyl]methylene}-3-methyl-1H-pyrazole-5-carbohydrazide
CID 5344288
N-[(4-chlorobenzylidene)amino]-5-(5-methyl-2-furyl)-1H-pyrazole-3-carboxamide
CID 6862391

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(4-chlorophenyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide (CID 5342701) is 3-(4-chlorophenyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide is COc1ccc(/C=N/NC(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide?
The InChIKey is PQTVEBFPTXVCRX-RGVLZGJSSA-N. The full InChI is InChI=1S/C18H15ClN4O2/c1-25-15-8-2-12(3-9-15)11-20-23-18(24)17-10-16(21-22-17)13-4-6-14(19)7-5-13/h2-11H,1H3,(H,21,22)(H,23,24)/b20-11+.
What are the key properties of 3-(4-chlorophenyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide?
3-(4-chlorophenyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide has a molecular weight of 354.80 g/mol, XLogP of 3.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 5342701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).