3-bromo-N-(1-ethylpyrazol-3-yl)-4-fluorobenzamide

C12H11BrFN3O — CID 114251537

IUPAC3-bromo-N-(1-ethylpyrazol-3-yl)-4-fluorobenzamide
SMILESCCn1ccc(NC(=O)c2ccc(F)c(Br)c2)n1
InChIInChI=1S/C12H11BrFN3O/c1-2-17-6-5-11(16-17)15-12(18)8-3-4-10(14)9(13)7-8/h3-7H,2H2,1H3,(H,15,16,18)
InChIKeyOXDCUUKYWZLDPD-UHFFFAOYSA-N
MW312.14 g/mol
LogP3.06
Rot. Bonds3

About 3-bromo-N-(1-ethylpyrazol-3-yl)-4-fluorobenzamide

3-bromo-N-(1-ethylpyrazol-3-yl)-4-fluorobenzamide (PubChem CID 114251537) has the molecular formula C12H11BrFN3O and a molecular weight of 312.14 g/mol. Its IUPAC name is 3-bromo-N-(1-ethylpyrazol-3-yl)-4-fluorobenzamide.

Molecular Properties

Compound Name3-bromo-N-(1-ethylpyrazol-3-yl)-4-fluorobenzamide
PubChem CID114251537
Molecular FormulaC12H11BrFN3O
Molecular Weight312.14 g/mol
Exact Mass311.01
IUPAC Name3-bromo-N-(1-ethylpyrazol-3-yl)-4-fluorobenzamide
SMILESCCn1ccc(NC(=O)c2ccc(F)c(Br)c2)n1
InChIInChI=1S/C12H11BrFN3O/c1-2-17-6-5-11(16-17)15-12(18)8-3-4-10(14)9(13)7-8/h3-7H,2H2,1H3,(H,15,16,18)
InChIKeyOXDCUUKYWZLDPD-UHFFFAOYSA-N
XLogP3.06
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.14
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-ethylpyrazol-3-yl)-4-(methylamino)benzamide
CID 114252349
2,6-dichloro-N-(1-ethylpyrazol-3-yl)pyridine-4-carboxamide
CID 114251518
2-chloro-N-(1-ethylpyrazol-3-yl)-4,5-difluorobenzamide
CID 35286238
N-(1-ethylpyrazol-3-yl)pyridine-3-carboxamide
CID 35286222
4-chloro-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19286680
3-bromo-N-(4-chloro-2-pyridinyl)-4-fluorobenzamide
CID 103707248
3-N,4-N-bis(1-ethylpyrazol-3-yl)-1-methylpyrazole-3,4-dicarboxamide
CID 29097735
5-chloro-N-(1-ethylpyrazol-3-yl)-2-methoxybenzamide
CID 35286166
1-ethyl-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide
CID 19284975
3-bromo-N-(3-ethylpentan-3-yl)-4-fluorobenzamide
CID 113244906
N-(1-ethylpyrazol-3-yl)-2,3-dihydroxybenzamide
CID 114251339
N-(1-ethylpyrazol-3-yl)pyridine-2-carboxamide
CID 35286531

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(1-ethylpyrazol-3-yl)-4-fluorobenzamide?
The IUPAC name of 3-bromo-N-(1-ethylpyrazol-3-yl)-4-fluorobenzamide (CID 114251537) is 3-bromo-N-(1-ethylpyrazol-3-yl)-4-fluorobenzamide.
What is the SMILES notation for 3-bromo-N-(1-ethylpyrazol-3-yl)-4-fluorobenzamide?
The canonical SMILES for 3-bromo-N-(1-ethylpyrazol-3-yl)-4-fluorobenzamide is CCn1ccc(NC(=O)c2ccc(F)c(Br)c2)n1.
What is the InChIKey of 3-bromo-N-(1-ethylpyrazol-3-yl)-4-fluorobenzamide?
The InChIKey is OXDCUUKYWZLDPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrFN3O/c1-2-17-6-5-11(16-17)15-12(18)8-3-4-10(14)9(13)7-8/h3-7H,2H2,1H3,(H,15,16,18).
What are the key properties of 3-bromo-N-(1-ethylpyrazol-3-yl)-4-fluorobenzamide?
3-bromo-N-(1-ethylpyrazol-3-yl)-4-fluorobenzamide has a molecular weight of 312.14 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(1-ethylpyrazol-3-yl)-4-fluorobenzamide is sourced from PubChem (CID 114251537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).