N-(4-bromophenyl)-2-ethylpyrazole-3-carboxamide

C12H12BrN3O — CID 1225480

IUPACN-(4-bromophenyl)-2-ethylpyrazole-3-carboxamide
SMILESCCn1nccc1C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C12H12BrN3O/c1-2-16-11(7-8-14-16)12(17)15-10-5-3-9(13)4-6-10/h3-8H,2H2,1H3,(H,15,17)
InChIKeyZGFOJEQSQPJFME-UHFFFAOYSA-N
MW294.15 g/mol
LogP2.92
Rot. Bonds3

About N-(4-bromophenyl)-2-ethylpyrazole-3-carboxamide

N-(4-bromophenyl)-2-ethylpyrazole-3-carboxamide (PubChem CID 1225480) has the molecular formula C12H12BrN3O and a molecular weight of 294.15 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-ethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-ethylpyrazole-3-carboxamide
PubChem CID1225480
Molecular FormulaC12H12BrN3O
Molecular Weight294.15 g/mol
Exact Mass293.02
IUPAC NameN-(4-bromophenyl)-2-ethylpyrazole-3-carboxamide
SMILESCCn1nccc1C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C12H12BrN3O/c1-2-16-11(7-8-14-16)12(17)15-10-5-3-9(13)4-6-10/h3-8H,2H2,1H3,(H,15,17)
InChIKeyZGFOJEQSQPJFME-UHFFFAOYSA-N
XLogP2.92
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.15
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-N-[4-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]-3-methylpyrazole-4-carboxamide
CID 4774253
4-bromo-N-(4-bromophenyl)-1-ethylpyrazole-5-carboxamide
CID 35522791
N-phenyl-2-propylpyrazole-3-carboxamide
CID 39891941
2-ethyl-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]pyrazole-3-carboxamide
CID 19578873
N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2-ethylpyrazole-3-carboxamide
CID 43972807
N-[1-(ethoxymethyl)pyrazol-4-yl]-2-ethylpyrazole-3-carboxamide
CID 19475516
3-[5-[[3-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19491840
2-ethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrazole-3-carboxamide
CID 19475273
2-ethyl-N-(3-nitrophenyl)pyrazole-3-carboxamide
CID 19578896
N-(1,3-dimethylpyrazol-4-yl)-2-ethylpyrazole-3-carboxamide
CID 19345990
4-amino-N-(4-bromophenyl)-1-ethylpyrazole-3-carboxamide
CID 65359173
N-[3-[3-(4-bromo-5-methylpyrazol-1-yl)propanoylamino]phenyl]-2-ethylpyrazole-3-carboxamide
CID 19541604

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-ethylpyrazole-3-carboxamide?
The IUPAC name of N-(4-bromophenyl)-2-ethylpyrazole-3-carboxamide (CID 1225480) is N-(4-bromophenyl)-2-ethylpyrazole-3-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-2-ethylpyrazole-3-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-2-ethylpyrazole-3-carboxamide is CCn1nccc1C(=O)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-ethylpyrazole-3-carboxamide?
The InChIKey is ZGFOJEQSQPJFME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O/c1-2-16-11(7-8-14-16)12(17)15-10-5-3-9(13)4-6-10/h3-8H,2H2,1H3,(H,15,17).
What are the key properties of N-(4-bromophenyl)-2-ethylpyrazole-3-carboxamide?
N-(4-bromophenyl)-2-ethylpyrazole-3-carboxamide has a molecular weight of 294.15 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-ethylpyrazole-3-carboxamide is sourced from PubChem (CID 1225480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).