4-bromo-1-ethyl-N-(3-fluorophenyl)pyrazole-5-carboxamide

C12H11BrFN3O — CID 5295507

IUPAC4-bromo-1-ethyl-N-(3-fluorophenyl)pyrazole-5-carboxamide
SMILESCCn1ncc(Br)c1C(=O)Nc1cccc(F)c1
InChIInChI=1S/C12H11BrFN3O/c1-2-17-11(10(13)7-15-17)12(18)16-9-5-3-4-8(14)6-9/h3-7H,2H2,1H3,(H,16,18)
InChIKeyDTMKUBHKJFHWAC-UHFFFAOYSA-N
MW312.14 g/mol
LogP3.06
Rot. Bonds3

About 4-bromo-1-ethyl-N-(3-fluorophenyl)pyrazole-5-carboxamide

4-bromo-1-ethyl-N-(3-fluorophenyl)pyrazole-5-carboxamide (PubChem CID 5295507) has the molecular formula C12H11BrFN3O and a molecular weight of 312.14 g/mol. Its IUPAC name is 4-bromo-1-ethyl-N-(3-fluorophenyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-bromo-1-ethyl-N-(3-fluorophenyl)pyrazole-5-carboxamide
PubChem CID5295507
Molecular FormulaC12H11BrFN3O
Molecular Weight312.14 g/mol
Exact Mass311.01
IUPAC Name4-bromo-1-ethyl-N-(3-fluorophenyl)pyrazole-5-carboxamide
SMILESCCn1ncc(Br)c1C(=O)Nc1cccc(F)c1
InChIInChI=1S/C12H11BrFN3O/c1-2-17-11(10(13)7-15-17)12(18)16-9-5-3-4-8(14)6-9/h3-7H,2H2,1H3,(H,16,18)
InChIKeyDTMKUBHKJFHWAC-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

4-bromo-N-(2,4-difluorophenyl)-1-ethyl-1H-pyrazole-3-carboxamide
CID 891679
N-(4-acetamidophenyl)-2-methylpyrazole-3-carboxamide
CID 747516
4-bromo-2-methyl-N-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 790519
[4-(2-Fluorophenyl)piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 6467697
methyl 3-((2-fluorophenyl)carbamoyl)-1H-pyrazole-1-carboxylate
CID 712135
4-bromo-N-(3-chloro-4-fluorophenyl)-1-ethyl-1H-pyrazole-3-carboxamide
CID 755380
N-(2-bromophenyl)-1,3-dimethyl-1H-pyrazole-4-carboxamide
CID 831954
N-(2-bromo-4-methylphenyl)-1-methyl-1H-pyrazole-3-carboxamide
CID 832004
4-bromo-N-(2,4-difluorophenyl)-1-ethyl-1H-pyrazole-5-carboxamide
CID 892592
4-chloro-N-(3-chlorophenyl)-1-methyl-1H-pyrazole-5-carboxamide
CID 903329
N-(2,4-dibromophenyl)-1-methyl-1H-pyrazole-3-carboxamide
CID 1009261
4-bromo-N-(4-bromo-2-fluorophenyl)-1,3-dimethyl-1H-pyrazole-5-carboxamide
CID 1014486

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-ethyl-N-(3-fluorophenyl)pyrazole-5-carboxamide?
The IUPAC name of 4-bromo-1-ethyl-N-(3-fluorophenyl)pyrazole-5-carboxamide (CID 5295507) is 4-bromo-1-ethyl-N-(3-fluorophenyl)pyrazole-5-carboxamide.
What is the SMILES notation for 4-bromo-1-ethyl-N-(3-fluorophenyl)pyrazole-5-carboxamide?
The canonical SMILES for 4-bromo-1-ethyl-N-(3-fluorophenyl)pyrazole-5-carboxamide is CCn1ncc(Br)c1C(=O)Nc1cccc(F)c1.
What is the InChIKey of 4-bromo-1-ethyl-N-(3-fluorophenyl)pyrazole-5-carboxamide?
The InChIKey is DTMKUBHKJFHWAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrFN3O/c1-2-17-11(10(13)7-15-17)12(18)16-9-5-3-4-8(14)6-9/h3-7H,2H2,1H3,(H,16,18).
What are the key properties of 4-bromo-1-ethyl-N-(3-fluorophenyl)pyrazole-5-carboxamide?
4-bromo-1-ethyl-N-(3-fluorophenyl)pyrazole-5-carboxamide 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 4-bromo-1-ethyl-N-(3-fluorophenyl)pyrazole-5-carboxamide is sourced from PubChem (CID 5295507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).