1-(4-bromophenyl)-N-[(Z)-(4-methoxyphenyl)methylideneamino]pyrazole-4-carboxamide

C18H15BrN4O2 — CID 11689834

IUPAC1-(4-bromophenyl)-N-[(Z)-(4-methoxyphenyl)methylideneamino]pyrazole-4-carboxamide
SMILESCOc1ccc(/C=N\NC(=O)c2cnn(-c3ccc(Br)cc3)c2)cc1
InChIInChI=1S/C18H15BrN4O2/c1-25-17-8-2-13(3-9-17)10-20-22-18(24)14-11-21-23(12-14)16-6-4-15(19)5-7-16/h2-12H,1H3,(H,22,24)/b20-10-
InChIKeyOYLDWVIFYWFOHD-JMIUGGIZSA-N
MW399.25 g/mol
LogP3.41
Rot. Bonds5

About 1-(4-bromophenyl)-N-[(Z)-(4-methoxyphenyl)methylideneamino]pyrazole-4-carboxamide

1-(4-bromophenyl)-N-[(Z)-(4-methoxyphenyl)methylideneamino]pyrazole-4-carboxamide (PubChem CID 11689834) has the molecular formula C18H15BrN4O2 and a molecular weight of 399.25 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-[(Z)-(4-methoxyphenyl)methylideneamino]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-[(Z)-(4-methoxyphenyl)methylideneamino]pyrazole-4-carboxamide
PubChem CID11689834
Molecular FormulaC18H15BrN4O2
Molecular Weight399.25 g/mol
Exact Mass398.04
IUPAC Name1-(4-bromophenyl)-N-[(Z)-(4-methoxyphenyl)methylideneamino]pyrazole-4-carboxamide
SMILESCOc1ccc(/C=N\NC(=O)c2cnn(-c3ccc(Br)cc3)c2)cc1
InChIInChI=1S/C18H15BrN4O2/c1-25-17-8-2-13(3-9-17)10-20-22-18(24)14-11-21-23(12-14)16-6-4-15(19)5-7-16/h2-12H,1H3,(H,22,24)/b20-10-
InChIKeyOYLDWVIFYWFOHD-JMIUGGIZSA-N
XLogP3.41
TPSA68.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.25
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

1-(4-bromophenyl)-N-[(Z)-(4-methylsulfanylphenyl)methylideneamino]pyrazole-4-carboxamide
CID 11697329
[4-[1-(4-bromophenyl)pyrazole-4-carbonyl]piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 55774534
4-(4-bromopyrazol-1-yl)-N-(4-methoxyphenyl)benzamide
CID 38761721
4-bromo-N-[(4-bromophenyl)methylideneamino]benzamide
CID 603280
N-[(E)-(4-fluorophenyl)methylideneamino]-4-methoxybenzamide
CID 6870619
N-[(4-methoxyphenyl)methylideneamino]-6-methylpyridine-3-carboxamide
CID 583796
(E)-N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-(4-methoxyphenyl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 135960794
2-(4-bromophenoxy)-N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]acetamide
CID 8979522
N-[(Z)-[4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-3,5-dimethoxybenzamide
CID 6079252
N-[(Z)-(4-methoxyphenyl)methylideneamino]-4-propan-2-yloxybenzamide
CID 9215527
4-bromo-N-[(E)-(3-methoxyphenyl)methylideneamino]benzamide
CID 6907430
1-(4-bromophenyl)-N-(4,5-dimethoxy-2-methylphenyl)pyrazole-4-carboxamide
CID 55770669

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-[(Z)-(4-methoxyphenyl)methylideneamino]pyrazole-4-carboxamide?
The IUPAC name of 1-(4-bromophenyl)-N-[(Z)-(4-methoxyphenyl)methylideneamino]pyrazole-4-carboxamide (CID 11689834) is 1-(4-bromophenyl)-N-[(Z)-(4-methoxyphenyl)methylideneamino]pyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-bromophenyl)-N-[(Z)-(4-methoxyphenyl)methylideneamino]pyrazole-4-carboxamide?
The canonical SMILES for 1-(4-bromophenyl)-N-[(Z)-(4-methoxyphenyl)methylideneamino]pyrazole-4-carboxamide is COc1ccc(/C=N\NC(=O)c2cnn(-c3ccc(Br)cc3)c2)cc1.
What is the InChIKey of 1-(4-bromophenyl)-N-[(Z)-(4-methoxyphenyl)methylideneamino]pyrazole-4-carboxamide?
The InChIKey is OYLDWVIFYWFOHD-JMIUGGIZSA-N. The full InChI is InChI=1S/C18H15BrN4O2/c1-25-17-8-2-13(3-9-17)10-20-22-18(24)14-11-21-23(12-14)16-6-4-15(19)5-7-16/h2-12H,1H3,(H,22,24)/b20-10-.
What are the key properties of 1-(4-bromophenyl)-N-[(Z)-(4-methoxyphenyl)methylideneamino]pyrazole-4-carboxamide?
1-(4-bromophenyl)-N-[(Z)-(4-methoxyphenyl)methylideneamino]pyrazole-4-carboxamide has a molecular weight of 399.25 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-[(Z)-(4-methoxyphenyl)methylideneamino]pyrazole-4-carboxamide is sourced from PubChem (CID 11689834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).