4-bromo-N'-(4-bromobenzoyl)-1-methylpyrazole-3-carbohydrazide

C12H10Br2N4O2 — CID 1036832

IUPAC4-bromo-N'-(4-bromobenzoyl)-1-methylpyrazole-3-carbohydrazide
SMILESCn1cc(Br)c(C(=O)NNC(=O)c2ccc(Br)cc2)n1
InChIInChI=1S/C12H10Br2N4O2/c1-18-6-9(14)10(17-18)12(20)16-15-11(19)7-2-4-8(13)5-3-7/h2-6H,1H3,(H,15,19)(H,16,20)
InChIKeyJZKMEYUHZBAFIO-UHFFFAOYSA-N
MW402.05 g/mol
LogP2.02
Rot. Bonds2

About 4-bromo-N'-(4-bromobenzoyl)-1-methylpyrazole-3-carbohydrazide

4-bromo-N'-(4-bromobenzoyl)-1-methylpyrazole-3-carbohydrazide (PubChem CID 1036832) has the molecular formula C12H10Br2N4O2 and a molecular weight of 402.05 g/mol. Its IUPAC name is 4-bromo-N'-(4-bromobenzoyl)-1-methylpyrazole-3-carbohydrazide.

Molecular Properties

Compound Name4-bromo-N'-(4-bromobenzoyl)-1-methylpyrazole-3-carbohydrazide
PubChem CID1036832
Molecular FormulaC12H10Br2N4O2
Molecular Weight402.05 g/mol
Exact Mass399.92
IUPAC Name4-bromo-N'-(4-bromobenzoyl)-1-methylpyrazole-3-carbohydrazide
SMILESCn1cc(Br)c(C(=O)NNC(=O)c2ccc(Br)cc2)n1
InChIInChI=1S/C12H10Br2N4O2/c1-18-6-9(14)10(17-18)12(20)16-15-11(19)7-2-4-8(13)5-3-7/h2-6H,1H3,(H,15,19)(H,16,20)
InChIKeyJZKMEYUHZBAFIO-UHFFFAOYSA-N
XLogP2.02
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.05
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N'-(4-bromobenzoyl)-1-methylpyrazole-3-carbohydrazide?
The IUPAC name of 4-bromo-N'-(4-bromobenzoyl)-1-methylpyrazole-3-carbohydrazide (CID 1036832) is 4-bromo-N'-(4-bromobenzoyl)-1-methylpyrazole-3-carbohydrazide.
What is the SMILES notation for 4-bromo-N'-(4-bromobenzoyl)-1-methylpyrazole-3-carbohydrazide?
The canonical SMILES for 4-bromo-N'-(4-bromobenzoyl)-1-methylpyrazole-3-carbohydrazide is Cn1cc(Br)c(C(=O)NNC(=O)c2ccc(Br)cc2)n1.
What is the InChIKey of 4-bromo-N'-(4-bromobenzoyl)-1-methylpyrazole-3-carbohydrazide?
The InChIKey is JZKMEYUHZBAFIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Br2N4O2/c1-18-6-9(14)10(17-18)12(20)16-15-11(19)7-2-4-8(13)5-3-7/h2-6H,1H3,(H,15,19)(H,16,20).
What are the key properties of 4-bromo-N'-(4-bromobenzoyl)-1-methylpyrazole-3-carbohydrazide?
4-bromo-N'-(4-bromobenzoyl)-1-methylpyrazole-3-carbohydrazide has a molecular weight of 402.05 g/mol, XLogP of 2.02, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N'-(4-bromobenzoyl)-1-methylpyrazole-3-carbohydrazide is sourced from PubChem (CID 1036832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).