5-(4-bromophenyl)-1-(4-methoxyphenyl)pyrazole-3-carbohydrazide

C17H15BrN4O2 — CID 166610813

IUPAC5-(4-bromophenyl)-1-(4-methoxyphenyl)pyrazole-3-carbohydrazide
SMILESCOc1ccc(-n2nc(C(=O)NN)cc2-c2ccc(Br)cc2)cc1
InChIInChI=1S/C17H15BrN4O2/c1-24-14-8-6-13(7-9-14)22-16(10-15(21-22)17(23)20-19)11-2-4-12(18)5-3-11/h2-10H,19H2,1H3,(H,20,23)
InChIKeyMZHYQQDCTSSJTM-UHFFFAOYSA-N
MW387.24 g/mol
LogP2.91
Rot. Bonds4

About 5-(4-bromophenyl)-1-(4-methoxyphenyl)pyrazole-3-carbohydrazide

5-(4-bromophenyl)-1-(4-methoxyphenyl)pyrazole-3-carbohydrazide (PubChem CID 166610813) has the molecular formula C17H15BrN4O2 and a molecular weight of 387.24 g/mol. Its IUPAC name is 5-(4-bromophenyl)-1-(4-methoxyphenyl)pyrazole-3-carbohydrazide.

Molecular Properties

Compound Name5-(4-bromophenyl)-1-(4-methoxyphenyl)pyrazole-3-carbohydrazide
PubChem CID166610813
Molecular FormulaC17H15BrN4O2
Molecular Weight387.24 g/mol
Exact Mass386.04
IUPAC Name5-(4-bromophenyl)-1-(4-methoxyphenyl)pyrazole-3-carbohydrazide
SMILESCOc1ccc(-n2nc(C(=O)NN)cc2-c2ccc(Br)cc2)cc1
InChIInChI=1S/C17H15BrN4O2/c1-24-14-8-6-13(7-9-14)22-16(10-15(21-22)17(23)20-19)11-2-4-12(18)5-3-11/h2-10H,19H2,1H3,(H,20,23)
InChIKeyMZHYQQDCTSSJTM-UHFFFAOYSA-N
XLogP2.91
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.24
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-1-(4-methoxyphenyl)pyrazole-3-carbohydrazide?
The IUPAC name of 5-(4-bromophenyl)-1-(4-methoxyphenyl)pyrazole-3-carbohydrazide (CID 166610813) is 5-(4-bromophenyl)-1-(4-methoxyphenyl)pyrazole-3-carbohydrazide.
What is the SMILES notation for 5-(4-bromophenyl)-1-(4-methoxyphenyl)pyrazole-3-carbohydrazide?
The canonical SMILES for 5-(4-bromophenyl)-1-(4-methoxyphenyl)pyrazole-3-carbohydrazide is COc1ccc(-n2nc(C(=O)NN)cc2-c2ccc(Br)cc2)cc1.
What is the InChIKey of 5-(4-bromophenyl)-1-(4-methoxyphenyl)pyrazole-3-carbohydrazide?
The InChIKey is MZHYQQDCTSSJTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN4O2/c1-24-14-8-6-13(7-9-14)22-16(10-15(21-22)17(23)20-19)11-2-4-12(18)5-3-11/h2-10H,19H2,1H3,(H,20,23).
What are the key properties of 5-(4-bromophenyl)-1-(4-methoxyphenyl)pyrazole-3-carbohydrazide?
5-(4-bromophenyl)-1-(4-methoxyphenyl)pyrazole-3-carbohydrazide has a molecular weight of 387.24 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-1-(4-methoxyphenyl)pyrazole-3-carbohydrazide is sourced from PubChem (CID 166610813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).