4-bromo-N-(4-bromophenyl)-1-methylpyrazole-3-carboxamide

C11H9Br2N3O — CID 604549

IUPAC4-bromo-N-(4-bromophenyl)-1-methylpyrazole-3-carboxamide
SMILESCn1cc(Br)c(C(=O)Nc2ccc(Br)cc2)n1
InChIInChI=1S/C11H9Br2N3O/c1-16-6-9(13)10(15-16)11(17)14-8-4-2-7(12)3-5-8/h2-6H,1H3,(H,14,17)
InChIKeyBGBZTJPZOFUPRV-UHFFFAOYSA-N
MW359.02 g/mol
LogP3.20
Rot. Bonds2

About 4-bromo-N-(4-bromophenyl)-1-methylpyrazole-3-carboxamide

4-bromo-N-(4-bromophenyl)-1-methylpyrazole-3-carboxamide (PubChem CID 604549) has the molecular formula C11H9Br2N3O and a molecular weight of 359.02 g/mol. Its IUPAC name is 4-bromo-N-(4-bromophenyl)-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(4-bromophenyl)-1-methylpyrazole-3-carboxamide
PubChem CID604549
Molecular FormulaC11H9Br2N3O
Molecular Weight359.02 g/mol
Exact Mass356.91
IUPAC Name4-bromo-N-(4-bromophenyl)-1-methylpyrazole-3-carboxamide
SMILESCn1cc(Br)c(C(=O)Nc2ccc(Br)cc2)n1
InChIInChI=1S/C11H9Br2N3O/c1-16-6-9(13)10(15-16)11(17)14-8-4-2-7(12)3-5-8/h2-6H,1H3,(H,14,17)
InChIKeyBGBZTJPZOFUPRV-UHFFFAOYSA-N
XLogP3.20
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.02
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(4-bromophenyl)-1-methylpyrazole-3-carboxamide?
The IUPAC name of 4-bromo-N-(4-bromophenyl)-1-methylpyrazole-3-carboxamide (CID 604549) is 4-bromo-N-(4-bromophenyl)-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for 4-bromo-N-(4-bromophenyl)-1-methylpyrazole-3-carboxamide?
The canonical SMILES for 4-bromo-N-(4-bromophenyl)-1-methylpyrazole-3-carboxamide is Cn1cc(Br)c(C(=O)Nc2ccc(Br)cc2)n1.
What is the InChIKey of 4-bromo-N-(4-bromophenyl)-1-methylpyrazole-3-carboxamide?
The InChIKey is BGBZTJPZOFUPRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Br2N3O/c1-16-6-9(13)10(15-16)11(17)14-8-4-2-7(12)3-5-8/h2-6H,1H3,(H,14,17).
What are the key properties of 4-bromo-N-(4-bromophenyl)-1-methylpyrazole-3-carboxamide?
4-bromo-N-(4-bromophenyl)-1-methylpyrazole-3-carboxamide has a molecular weight of 359.02 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(4-bromophenyl)-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 604549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).