4-bromo-N-(2,4-difluorophenyl)-1-ethylpyrazole-3-carboxamide

C12H10BrF2N3O — CID 891679

IUPAC4-bromo-N-(2,4-difluorophenyl)-1-ethylpyrazole-3-carboxamide
SMILESCCn1cc(Br)c(C(=O)Nc2ccc(F)cc2F)n1
InChIInChI=1S/C12H10BrF2N3O/c1-2-18-6-8(13)11(17-18)12(19)16-10-4-3-7(14)5-9(10)15/h3-6H,2H2,1H3,(H,16,19)
InChIKeyVSFZEJFXSMBQJK-UHFFFAOYSA-N
MW330.13 g/mol
LogP3.20
Rot. Bonds3

About 4-bromo-N-(2,4-difluorophenyl)-1-ethylpyrazole-3-carboxamide

4-bromo-N-(2,4-difluorophenyl)-1-ethylpyrazole-3-carboxamide (PubChem CID 891679) has the molecular formula C12H10BrF2N3O and a molecular weight of 330.13 g/mol. Its IUPAC name is 4-bromo-N-(2,4-difluorophenyl)-1-ethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(2,4-difluorophenyl)-1-ethylpyrazole-3-carboxamide
PubChem CID891679
Molecular FormulaC12H10BrF2N3O
Molecular Weight330.13 g/mol
Exact Mass329.00
IUPAC Name4-bromo-N-(2,4-difluorophenyl)-1-ethylpyrazole-3-carboxamide
SMILESCCn1cc(Br)c(C(=O)Nc2ccc(F)cc2F)n1
InChIInChI=1S/C12H10BrF2N3O/c1-2-18-6-8(13)11(17-18)12(19)16-10-4-3-7(14)5-9(10)15/h3-6H,2H2,1H3,(H,16,19)
InChIKeyVSFZEJFXSMBQJK-UHFFFAOYSA-N
XLogP3.20
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.13
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(acetylamino)phenyl]-1-methyl-1H-pyrazole-5-carboxamide
CID 747516
4-bromo-2-methyl-N-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 790519
4-(2-Fluorophenyl)piperazinyl 1-methylpyrazol-5-yl ketone
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
N-(3-chlorophenyl)-1-ethyl-1H-pyrazole-3-carboxamide
CID 891989
4-bromo-N-(2,4-difluorophenyl)-1-ethyl-1H-pyrazole-5-carboxamide
CID 892592
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
N-(4-bromophenyl)-1,5-dimethyl-1H-pyrazole-4-carboxamide
CID 1225284

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2,4-difluorophenyl)-1-ethylpyrazole-3-carboxamide?
The IUPAC name of 4-bromo-N-(2,4-difluorophenyl)-1-ethylpyrazole-3-carboxamide (CID 891679) is 4-bromo-N-(2,4-difluorophenyl)-1-ethylpyrazole-3-carboxamide.
What is the SMILES notation for 4-bromo-N-(2,4-difluorophenyl)-1-ethylpyrazole-3-carboxamide?
The canonical SMILES for 4-bromo-N-(2,4-difluorophenyl)-1-ethylpyrazole-3-carboxamide is CCn1cc(Br)c(C(=O)Nc2ccc(F)cc2F)n1.
What is the InChIKey of 4-bromo-N-(2,4-difluorophenyl)-1-ethylpyrazole-3-carboxamide?
The InChIKey is VSFZEJFXSMBQJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrF2N3O/c1-2-18-6-8(13)11(17-18)12(19)16-10-4-3-7(14)5-9(10)15/h3-6H,2H2,1H3,(H,16,19).
What are the key properties of 4-bromo-N-(2,4-difluorophenyl)-1-ethylpyrazole-3-carboxamide?
4-bromo-N-(2,4-difluorophenyl)-1-ethylpyrazole-3-carboxamide has a molecular weight of 330.13 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2,4-difluorophenyl)-1-ethylpyrazole-3-carboxamide is sourced from PubChem (CID 891679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).