3-bromo-N-(5-ethyl-1H-pyrazol-3-yl)benzamide

C12H12BrN3O — CID 47423213

IUPAC3-bromo-N-(5-ethyl-1H-pyrazol-3-yl)benzamide
SMILESCCc1cc(NC(=O)c2cccc(Br)c2)n[nH]1
InChIInChI=1S/C12H12BrN3O/c1-2-10-7-11(16-15-10)14-12(17)8-4-3-5-9(13)6-8/h3-7H,2H2,1H3,(H2,14,15,16,17)
InChIKeyZWQLXRUXQTZISN-UHFFFAOYSA-N
MW294.15 g/mol
LogP2.99
Rot. Bonds3

About 3-bromo-N-(5-ethyl-1H-pyrazol-3-yl)benzamide

3-bromo-N-(5-ethyl-1H-pyrazol-3-yl)benzamide (PubChem CID 47423213) has the molecular formula C12H12BrN3O and a molecular weight of 294.15 g/mol. Its IUPAC name is 3-bromo-N-(5-ethyl-1H-pyrazol-3-yl)benzamide.

Molecular Properties

Compound Name3-bromo-N-(5-ethyl-1H-pyrazol-3-yl)benzamide
PubChem CID47423213
Molecular FormulaC12H12BrN3O
Molecular Weight294.15 g/mol
Exact Mass293.02
IUPAC Name3-bromo-N-(5-ethyl-1H-pyrazol-3-yl)benzamide
SMILESCCc1cc(NC(=O)c2cccc(Br)c2)n[nH]1
InChIInChI=1S/C12H12BrN3O/c1-2-10-7-11(16-15-10)14-12(17)8-4-3-5-9(13)6-8/h3-7H,2H2,1H3,(H2,14,15,16,17)
InChIKeyZWQLXRUXQTZISN-UHFFFAOYSA-N
XLogP2.99
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.15
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-ethyl-1H-pyrazol-3-yl)-3-iodobenzamide
CID 47423222
3-amino-N-(5-ethyl-1H-pyrazol-3-yl)benzamide
CID 113433320
5-bromo-N-(5-ethyl-1H-pyrazol-3-yl)pyridine-3-carboxamide
CID 47423228
N-(5-ethyl-1H-pyrazol-3-yl)-3-(2H-tetrazol-5-yl)benzamide
CID 104619491
N-(5-ethyl-1H-pyrazol-3-yl)quinoxaline-6-carboxamide
CID 115884080
4-bromo-N-(5-ethyl-1H-pyrazol-3-yl)-2-methylbenzamide
CID 112689151
(E)-3-(3-bromophenyl)-N-(5-ethyl-1H-pyrazol-3-yl)prop-2-enamide
CID 104619611
2,6-dichloro-N-(5-ethyl-1H-pyrazol-3-yl)benzamide
CID 113433751
4-(dimethylamino)-N-(5-ethyl-1H-pyrazol-3-yl)benzamide
CID 47423237
3-chloro-N-(5-ethyl-1H-pyrazol-3-yl)-4-fluorobenzamide
CID 113263522
4-(carbamoylamino)-N-(5-ethyl-1H-pyrazol-3-yl)benzamide
CID 115593799
2-bromo-N-(5-ethyl-1H-pyrazol-3-yl)-5-methylbenzamide
CID 113259455

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(5-ethyl-1H-pyrazol-3-yl)benzamide?
The IUPAC name of 3-bromo-N-(5-ethyl-1H-pyrazol-3-yl)benzamide (CID 47423213) is 3-bromo-N-(5-ethyl-1H-pyrazol-3-yl)benzamide.
What is the SMILES notation for 3-bromo-N-(5-ethyl-1H-pyrazol-3-yl)benzamide?
The canonical SMILES for 3-bromo-N-(5-ethyl-1H-pyrazol-3-yl)benzamide is CCc1cc(NC(=O)c2cccc(Br)c2)n[nH]1.
What is the InChIKey of 3-bromo-N-(5-ethyl-1H-pyrazol-3-yl)benzamide?
The InChIKey is ZWQLXRUXQTZISN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O/c1-2-10-7-11(16-15-10)14-12(17)8-4-3-5-9(13)6-8/h3-7H,2H2,1H3,(H2,14,15,16,17).
What are the key properties of 3-bromo-N-(5-ethyl-1H-pyrazol-3-yl)benzamide?
3-bromo-N-(5-ethyl-1H-pyrazol-3-yl)benzamide has a molecular weight of 294.15 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(5-ethyl-1H-pyrazol-3-yl)benzamide is sourced from PubChem (CID 47423213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).