4-bromo-N-(4-bromo-2-fluorophenyl)-1,3-dimethylpyrazole-5-carboxamide

C12H10Br2FN3O — CID 1014486

IUPAC4-bromo-N-(4-bromo-2-fluorophenyl)-1,3-dimethylpyrazole-5-carboxamide
SMILESCc1nn(C)c(C(=O)Nc2ccc(Br)cc2F)c1Br
InChIInChI=1S/C12H10Br2FN3O/c1-6-10(14)11(18(2)17-6)12(19)16-9-4-3-7(13)5-8(9)15/h3-5H,1-2H3,(H,16,19)
InChIKeyFPWLYZKKRYECPM-UHFFFAOYSA-N
MW391.04 g/mol
LogP3.64
Rot. Bonds2

About 4-bromo-N-(4-bromo-2-fluorophenyl)-1,3-dimethylpyrazole-5-carboxamide

4-bromo-N-(4-bromo-2-fluorophenyl)-1,3-dimethylpyrazole-5-carboxamide (PubChem CID 1014486) has the molecular formula C12H10Br2FN3O and a molecular weight of 391.04 g/mol. Its IUPAC name is 4-bromo-N-(4-bromo-2-fluorophenyl)-1,3-dimethylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(4-bromo-2-fluorophenyl)-1,3-dimethylpyrazole-5-carboxamide
PubChem CID1014486
Molecular FormulaC12H10Br2FN3O
Molecular Weight391.04 g/mol
Exact Mass388.92
IUPAC Name4-bromo-N-(4-bromo-2-fluorophenyl)-1,3-dimethylpyrazole-5-carboxamide
SMILESCc1nn(C)c(C(=O)Nc2ccc(Br)cc2F)c1Br
InChIInChI=1S/C12H10Br2FN3O/c1-6-10(14)11(18(2)17-6)12(19)16-9-4-3-7(13)5-8(9)15/h3-5H,1-2H3,(H,16,19)
InChIKeyFPWLYZKKRYECPM-UHFFFAOYSA-N
XLogP3.64
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.04
LogP ≤ 53.64
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-bromo-2-fluorophenyl)-1,3-dimethylpyrazole-5-carboxamide?
The IUPAC name of 4-bromo-N-(4-bromo-2-fluorophenyl)-1,3-dimethylpyrazole-5-carboxamide (CID 1014486) is 4-bromo-N-(4-bromo-2-fluorophenyl)-1,3-dimethylpyrazole-5-carboxamide.
What is the SMILES notation for 4-bromo-N-(4-bromo-2-fluorophenyl)-1,3-dimethylpyrazole-5-carboxamide?
The canonical SMILES for 4-bromo-N-(4-bromo-2-fluorophenyl)-1,3-dimethylpyrazole-5-carboxamide is Cc1nn(C)c(C(=O)Nc2ccc(Br)cc2F)c1Br.
What is the InChIKey of 4-bromo-N-(4-bromo-2-fluorophenyl)-1,3-dimethylpyrazole-5-carboxamide?
The InChIKey is FPWLYZKKRYECPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Br2FN3O/c1-6-10(14)11(18(2)17-6)12(19)16-9-4-3-7(13)5-8(9)15/h3-5H,1-2H3,(H,16,19).
What are the key properties of 4-bromo-N-(4-bromo-2-fluorophenyl)-1,3-dimethylpyrazole-5-carboxamide?
4-bromo-N-(4-bromo-2-fluorophenyl)-1,3-dimethylpyrazole-5-carboxamide has a molecular weight of 391.04 g/mol, XLogP of 3.64, 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-bromo-2-fluorophenyl)-1,3-dimethylpyrazole-5-carboxamide is sourced from PubChem (CID 1014486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).