4-bromo-1-(2,4-difluorophenyl)pyrazole-3-carbonitrile

C10H4BrF2N3 — CID 116818890

IUPAC4-bromo-1-(2,4-difluorophenyl)pyrazole-3-carbonitrile
SMILESN#Cc1nn(-c2ccc(F)cc2F)cc1Br
InChIInChI=1S/C10H4BrF2N3/c11-7-5-16(15-9(7)4-14)10-2-1-6(12)3-8(10)13/h1-3,5H
InChIKeyAPYXSTPWFYJBQX-UHFFFAOYSA-N
MW284.06 g/mol
LogP2.78
Rot. Bonds1

About 4-bromo-1-(2,4-difluorophenyl)pyrazole-3-carbonitrile

4-bromo-1-(2,4-difluorophenyl)pyrazole-3-carbonitrile (PubChem CID 116818890) has the molecular formula C10H4BrF2N3 and a molecular weight of 284.06 g/mol. Its IUPAC name is 4-bromo-1-(2,4-difluorophenyl)pyrazole-3-carbonitrile.

Molecular Properties

Compound Name4-bromo-1-(2,4-difluorophenyl)pyrazole-3-carbonitrile
PubChem CID116818890
Molecular FormulaC10H4BrF2N3
Molecular Weight284.06 g/mol
Exact Mass282.96
IUPAC Name4-bromo-1-(2,4-difluorophenyl)pyrazole-3-carbonitrile
SMILESN#Cc1nn(-c2ccc(F)cc2F)cc1Br
InChIInChI=1S/C10H4BrF2N3/c11-7-5-16(15-9(7)4-14)10-2-1-6(12)3-8(10)13/h1-3,5H
InChIKeyAPYXSTPWFYJBQX-UHFFFAOYSA-N
XLogP2.78
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.06
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-1-(3,4-difluorophenyl)pyrazole-3-carbonitrile
CID 116818891
4-bromo-1-(4-chloro-2-methylphenyl)pyrazole-3-carbonitrile
CID 116818873
3-(4-bromothiophen-2-yl)-1-(2,4-difluorophenyl)pyrazol-4-amine
CID 107354942
1-(2,4-difluorophenyl)-4-hydroxypyrazole-3-carboxylic acid
CID 43133814
1-(2,4-difluorophenyl)-3-[1-(2,4-difluorophenyl)pyrazol-3-yl]oxypyrazole
CID 58704714
1-(2,4-difluorophenyl)-3-thiophen-2-ylpyrazol-4-amine
CID 83223052
5-chloro-3-cyclopropyl-1-(2,4-difluorophenyl)pyrazole-4-carbonitrile
CID 63787735
1-(2,4-difluorophenyl)-3-[2-[1-(2,4-difluorophenyl)-1,2,4-triazol-3-yl]propan-2-yl]-1,2,4-triazole
CID 58704813
[1-(2,4-difluorophenyl)-3-phenylpyrazol-4-yl]methanol
CID 5002414
4-(2-bromo-4-fluorophenyl)-1,2,4-triazole
CID 84703033
1-(2,4-difluorophenyl)-6-methyl-2-oxopyridine-3-carbonitrile
CID 58158462
3-bromo-6-fluoropyridine-2-carbonitrile
CID 84669802

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-(2,4-difluorophenyl)pyrazole-3-carbonitrile?
The IUPAC name of 4-bromo-1-(2,4-difluorophenyl)pyrazole-3-carbonitrile (CID 116818890) is 4-bromo-1-(2,4-difluorophenyl)pyrazole-3-carbonitrile.
What is the SMILES notation for 4-bromo-1-(2,4-difluorophenyl)pyrazole-3-carbonitrile?
The canonical SMILES for 4-bromo-1-(2,4-difluorophenyl)pyrazole-3-carbonitrile is N#Cc1nn(-c2ccc(F)cc2F)cc1Br.
What is the InChIKey of 4-bromo-1-(2,4-difluorophenyl)pyrazole-3-carbonitrile?
The InChIKey is APYXSTPWFYJBQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4BrF2N3/c11-7-5-16(15-9(7)4-14)10-2-1-6(12)3-8(10)13/h1-3,5H.
What are the key properties of 4-bromo-1-(2,4-difluorophenyl)pyrazole-3-carbonitrile?
4-bromo-1-(2,4-difluorophenyl)pyrazole-3-carbonitrile has a molecular weight of 284.06 g/mol, XLogP of 2.78, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-(2,4-difluorophenyl)pyrazole-3-carbonitrile is sourced from PubChem (CID 116818890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).