4-bromo-N-[(Z)-[5-(4-methylphenyl)-1H-pyrazol-4-yl]methylideneamino]benzamide

C18H15BrN4O — CID 135892472

IUPAC4-bromo-N-[(Z)-[5-(4-methylphenyl)-1H-pyrazol-4-yl]methylideneamino]benzamide
SMILESCc1ccc(-c2[nH]ncc2/C=N\NC(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C18H15BrN4O/c1-12-2-4-13(5-3-12)17-15(10-20-22-17)11-21-23-18(24)14-6-8-16(19)9-7-14/h2-11H,1H3,(H,20,22)(H,23,24)/b21-11-
InChIKeyQYCMWDKCADVBDW-NHDPSOOVSA-N
MW383.25 g/mol
LogP3.91
Rot. Bonds4

About 4-bromo-N-[(Z)-[5-(4-methylphenyl)-1H-pyrazol-4-yl]methylideneamino]benzamide

4-bromo-N-[(Z)-[5-(4-methylphenyl)-1H-pyrazol-4-yl]methylideneamino]benzamide (PubChem CID 135892472) has the molecular formula C18H15BrN4O and a molecular weight of 383.25 g/mol. Its IUPAC name is 4-bromo-N-[(Z)-[5-(4-methylphenyl)-1H-pyrazol-4-yl]methylideneamino]benzamide.

Molecular Properties

Compound Name4-bromo-N-[(Z)-[5-(4-methylphenyl)-1H-pyrazol-4-yl]methylideneamino]benzamide
PubChem CID135892472
Molecular FormulaC18H15BrN4O
Molecular Weight383.25 g/mol
Exact Mass382.04
IUPAC Name4-bromo-N-[(Z)-[5-(4-methylphenyl)-1H-pyrazol-4-yl]methylideneamino]benzamide
SMILESCc1ccc(-c2[nH]ncc2/C=N\NC(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C18H15BrN4O/c1-12-2-4-13(5-3-12)17-15(10-20-22-17)11-21-23-18(24)14-6-8-16(19)9-7-14/h2-11H,1H3,(H,20,22)(H,23,24)/b21-11-
InChIKeyQYCMWDKCADVBDW-NHDPSOOVSA-N
XLogP3.91
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.25
LogP ≤ 53.91
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

N-[(E)-[5-(4-methylphenyl)-1H-pyrazol-4-yl]methylideneamino]naphthalene-2-carboxamide
CID 135621572
N-[(Z)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]benzamide
CID 136900537
N-[(E)-[5-(4-bromophenyl)-1H-pyrazol-4-yl]methylideneamino]-5-propan-2-ylthiophene-3-carboxamide
CID 135647408
4-fluoro-N-[(E)-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methylideneamino]benzamide
CID 135685168
3-bromo-N-[(Z)-[5-(4-ethylphenyl)-1H-pyrazol-4-yl]methylideneamino]benzamide
CID 135892470
N-[(Z)-[5-(4-methylphenyl)-1H-pyrazol-4-yl]methylideneamino]thiophene-2-carboxamide
CID 135647508
2,5-dichloro-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methylideneamino]benzamide
CID 1014831
N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methylideneamino]-4-nitrobenzamide
CID 4748531
N-[(Z)-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylideneamino]-5-methylthiophene-3-carboxamide
CID 136728466
2,2-dibromo-1-methyl-N-[(E)-[5-(4-methylphenyl)-1H-pyrazol-4-yl]methylideneamino]cyclopropane-1-carboxamide
CID 135533643
N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methylideneamino]-4-propoxybenzamide
CID 3601077
N-[(Z)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]naphthalene-2-carboxamide
CID 135958015

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(Z)-[5-(4-methylphenyl)-1H-pyrazol-4-yl]methylideneamino]benzamide?
The IUPAC name of 4-bromo-N-[(Z)-[5-(4-methylphenyl)-1H-pyrazol-4-yl]methylideneamino]benzamide (CID 135892472) is 4-bromo-N-[(Z)-[5-(4-methylphenyl)-1H-pyrazol-4-yl]methylideneamino]benzamide.
What is the SMILES notation for 4-bromo-N-[(Z)-[5-(4-methylphenyl)-1H-pyrazol-4-yl]methylideneamino]benzamide?
The canonical SMILES for 4-bromo-N-[(Z)-[5-(4-methylphenyl)-1H-pyrazol-4-yl]methylideneamino]benzamide is Cc1ccc(-c2[nH]ncc2/C=N\NC(=O)c2ccc(Br)cc2)cc1.
What is the InChIKey of 4-bromo-N-[(Z)-[5-(4-methylphenyl)-1H-pyrazol-4-yl]methylideneamino]benzamide?
The InChIKey is QYCMWDKCADVBDW-NHDPSOOVSA-N. The full InChI is InChI=1S/C18H15BrN4O/c1-12-2-4-13(5-3-12)17-15(10-20-22-17)11-21-23-18(24)14-6-8-16(19)9-7-14/h2-11H,1H3,(H,20,22)(H,23,24)/b21-11-.
What are the key properties of 4-bromo-N-[(Z)-[5-(4-methylphenyl)-1H-pyrazol-4-yl]methylideneamino]benzamide?
4-bromo-N-[(Z)-[5-(4-methylphenyl)-1H-pyrazol-4-yl]methylideneamino]benzamide has a molecular weight of 383.25 g/mol, XLogP of 3.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(Z)-[5-(4-methylphenyl)-1H-pyrazol-4-yl]methylideneamino]benzamide is sourced from PubChem (CID 135892472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).