4-bromo-N-(4-bromophenyl)-1-ethylpyrazole-5-carboxamide

C12H11Br2N3O — CID 35522791

IUPAC4-bromo-N-(4-bromophenyl)-1-ethylpyrazole-5-carboxamide
SMILESCCn1ncc(Br)c1C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C12H11Br2N3O/c1-2-17-11(10(14)7-15-17)12(18)16-9-5-3-8(13)4-6-9/h3-7H,2H2,1H3,(H,16,18)
InChIKeyXBALHXOUGFKFSM-UHFFFAOYSA-N
MW373.05 g/mol
LogP3.68
Rot. Bonds3

About 4-bromo-N-(4-bromophenyl)-1-ethylpyrazole-5-carboxamide

4-bromo-N-(4-bromophenyl)-1-ethylpyrazole-5-carboxamide (PubChem CID 35522791) has the molecular formula C12H11Br2N3O and a molecular weight of 373.05 g/mol. Its IUPAC name is 4-bromo-N-(4-bromophenyl)-1-ethylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(4-bromophenyl)-1-ethylpyrazole-5-carboxamide
PubChem CID35522791
Molecular FormulaC12H11Br2N3O
Molecular Weight373.05 g/mol
Exact Mass370.93
IUPAC Name4-bromo-N-(4-bromophenyl)-1-ethylpyrazole-5-carboxamide
SMILESCCn1ncc(Br)c1C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C12H11Br2N3O/c1-2-17-11(10(14)7-15-17)12(18)16-9-5-3-8(13)4-6-9/h3-7H,2H2,1H3,(H,16,18)
InChIKeyXBALHXOUGFKFSM-UHFFFAOYSA-N
XLogP3.68
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.05
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-(4-cyanophenyl)-1-ethylpyrazole-5-carboxamide
CID 39854861
4-bromo-N-(3,4-dimethylphenyl)-1-ethylpyrazole-5-carboxamide
CID 892389
4-bromo-1-ethyl-N-(3-nitrophenyl)pyrazole-5-carboxamide
CID 35522789
N-(4-bromophenyl)-2-ethylpyrazole-3-carboxamide
CID 1225480
4-bromo-N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-1-ethylpyrazole-5-carboxamide
CID 19476759
4-bromo-1-ethyl-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]pyrazole-5-carboxamide
CID 35529894
4-bromo-1-ethyl-N-(4-methylpyrimidin-2-yl)pyrazole-5-carboxamide
CID 35522845
4-amino-N-(4-chlorophenyl)-1-ethylpyrazole-5-carboxamide
CID 65357708
4-amino-N-(4-bromo-3-chlorophenyl)-1-ethylpyrazole-5-carboxamide
CID 107618381
4-bromo-1-ethyl-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]pyrazole-5-carboxamide
CID 19476743
N-(4-acetylphenyl)-4-amino-1-ethylpyrazole-5-carboxamide
CID 65357059
4-bromo-1-ethyl-N-(2-phenylsulfanylphenyl)pyrazole-5-carboxamide
CID 4518276

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(4-bromophenyl)-1-ethylpyrazole-5-carboxamide?
The IUPAC name of 4-bromo-N-(4-bromophenyl)-1-ethylpyrazole-5-carboxamide (CID 35522791) is 4-bromo-N-(4-bromophenyl)-1-ethylpyrazole-5-carboxamide.
What is the SMILES notation for 4-bromo-N-(4-bromophenyl)-1-ethylpyrazole-5-carboxamide?
The canonical SMILES for 4-bromo-N-(4-bromophenyl)-1-ethylpyrazole-5-carboxamide is CCn1ncc(Br)c1C(=O)Nc1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-(4-bromophenyl)-1-ethylpyrazole-5-carboxamide?
The InChIKey is XBALHXOUGFKFSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Br2N3O/c1-2-17-11(10(14)7-15-17)12(18)16-9-5-3-8(13)4-6-9/h3-7H,2H2,1H3,(H,16,18).
What are the key properties of 4-bromo-N-(4-bromophenyl)-1-ethylpyrazole-5-carboxamide?
4-bromo-N-(4-bromophenyl)-1-ethylpyrazole-5-carboxamide has a molecular weight of 373.05 g/mol, XLogP of 3.68, 3 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-ethylpyrazole-5-carboxamide is sourced from PubChem (CID 35522791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).