2,5-difluoro-4-(5-oxo-4H-pyrazol-1-yl)benzonitrile

C10H5F2N3O — CID 22392643

IUPAC2,5-difluoro-4-(5-oxo-4H-pyrazol-1-yl)benzonitrile
SMILESN#Cc1cc(F)c(N2N=CCC2=O)cc1F
InChIInChI=1S/C10H5F2N3O/c11-7-4-9(8(12)3-6(7)5-13)15-10(16)1-2-14-15/h2-4H,1H2
InChIKeyYVUOXDKKWZKKHA-UHFFFAOYSA-N
MW221.17 g/mol
LogP1.56
Rot. Bonds1

About 2,5-difluoro-4-(5-oxo-4H-pyrazol-1-yl)benzonitrile

2,5-difluoro-4-(5-oxo-4H-pyrazol-1-yl)benzonitrile (PubChem CID 22392643) has the molecular formula C10H5F2N3O and a molecular weight of 221.17 g/mol. Its IUPAC name is 2,5-difluoro-4-(5-oxo-4H-pyrazol-1-yl)benzonitrile.

Molecular Properties

Compound Name2,5-difluoro-4-(5-oxo-4H-pyrazol-1-yl)benzonitrile
PubChem CID22392643
Molecular FormulaC10H5F2N3O
Molecular Weight221.17 g/mol
Exact Mass221.04
IUPAC Name2,5-difluoro-4-(5-oxo-4H-pyrazol-1-yl)benzonitrile
SMILESN#Cc1cc(F)c(N2N=CCC2=O)cc1F
InChIInChI=1S/C10H5F2N3O/c11-7-4-9(8(12)3-6(7)5-13)15-10(16)1-2-14-15/h2-4H,1H2
InChIKeyYVUOXDKKWZKKHA-UHFFFAOYSA-N
XLogP1.56
TPSA56.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.17
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2,5-difluoro-4-(5-oxo-4H-pyrazol-1-yl)benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,5-difluoro-4-(4-methyl-6-oxopyridazin-1-yl)benzonitrile
CID 22235236
2,5-difluoro-4-(5-methyl-3-oxo-[1,3]thiazolo[2,3-c][1,2,4]triazol-2-yl)benzonitrile
CID 12040809
4-(5-tert-butyl-2-oxo-1,3,4-oxadiazol-3-yl)-2,5-difluorobenzonitrile
CID 14699629
2,5-difluoro-4-[3-methyl-4-(methylamino)-5-oxo-1,2,4-triazol-1-yl]benzonitrile
CID 22078110
4-[4-(dimethylamino)-3-methyl-5-oxo-1,2,4-triazol-1-yl]-2,5-difluorobenzonitrile
CID 22078108
2,5-difluoro-4-[4-(trifluoromethyl)piperidin-1-yl]benzonitrile
CID 142449315
4-[2,4-dioxo-6-(trifluoromethyl)-1,3-oxazin-3-yl]-2,5-difluorobenzonitrile
CID 10936040
4-[5-chloro-4-(dimethylamino)-6-oxopyridazin-1-yl]-2,5-difluorobenzonitrile
CID 22235227
2-(3,8-diazabicyclo[3.2.1]octan-8-yl)-4,5-difluorobenzonitrile
CID 134499075
2-fluoro-4-formyl-5-hydroxybenzonitrile
CID 130063154
4,5-dibromo-2-fluorobenzonitrile
CID 118846547
2-fluoro-4-(2-oxopyrrolidin-1-yl)benzonitrile
CID 53417042

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-4-(5-oxo-4H-pyrazol-1-yl)benzonitrile?
The IUPAC name of 2,5-difluoro-4-(5-oxo-4H-pyrazol-1-yl)benzonitrile (CID 22392643) is 2,5-difluoro-4-(5-oxo-4H-pyrazol-1-yl)benzonitrile.
What is the SMILES notation for 2,5-difluoro-4-(5-oxo-4H-pyrazol-1-yl)benzonitrile?
The canonical SMILES for 2,5-difluoro-4-(5-oxo-4H-pyrazol-1-yl)benzonitrile is N#Cc1cc(F)c(N2N=CCC2=O)cc1F.
What is the InChIKey of 2,5-difluoro-4-(5-oxo-4H-pyrazol-1-yl)benzonitrile?
The InChIKey is YVUOXDKKWZKKHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F2N3O/c11-7-4-9(8(12)3-6(7)5-13)15-10(16)1-2-14-15/h2-4H,1H2.
What are the key properties of 2,5-difluoro-4-(5-oxo-4H-pyrazol-1-yl)benzonitrile?
2,5-difluoro-4-(5-oxo-4H-pyrazol-1-yl)benzonitrile has a molecular weight of 221.17 g/mol, XLogP of 1.56, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-4-(5-oxo-4H-pyrazol-1-yl)benzonitrile is sourced from PubChem (CID 22392643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).