5-(4-bromo-3-fluorophenyl)-1H-pyrazole-4-carbonitrile

C10H5BrFN3 — CID 164945787

IUPAC5-(4-bromo-3-fluorophenyl)-1H-pyrazole-4-carbonitrile
SMILESN#Cc1cn[nH]c1-c1ccc(Br)c(F)c1
InChIInChI=1S/C10H5BrFN3/c11-8-2-1-6(3-9(8)12)10-7(4-13)5-14-15-10/h1-3,5H,(H,14,15)
InChIKeyYCGIRPBVNLYKKB-UHFFFAOYSA-N
MW266.07 g/mol
LogP2.85
Rot. Bonds1

About 5-(4-bromo-3-fluorophenyl)-1H-pyrazole-4-carbonitrile

5-(4-bromo-3-fluorophenyl)-1H-pyrazole-4-carbonitrile (PubChem CID 164945787) has the molecular formula C10H5BrFN3 and a molecular weight of 266.07 g/mol. Its IUPAC name is 5-(4-bromo-3-fluorophenyl)-1H-pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-(4-bromo-3-fluorophenyl)-1H-pyrazole-4-carbonitrile
PubChem CID164945787
Molecular FormulaC10H5BrFN3
Molecular Weight266.07 g/mol
Exact Mass264.97
IUPAC Name5-(4-bromo-3-fluorophenyl)-1H-pyrazole-4-carbonitrile
SMILESN#Cc1cn[nH]c1-c1ccc(Br)c(F)c1
InChIInChI=1S/C10H5BrFN3/c11-8-2-1-6(3-9(8)12)10-7(4-13)5-14-15-10/h1-3,5H,(H,14,15)
InChIKeyYCGIRPBVNLYKKB-UHFFFAOYSA-N
XLogP2.85
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.07
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(4-ethylphenyl)-1H-pyrazole-4-carbonitrile
CID 39096341
4-chloro-5-(3,4-difluorophenyl)-1H-pyrazole
CID 61395009
5-(3-bromo-4-fluorophenyl)-1H-pyrazole-4-carboxylic acid
CID 62913159
4-(3-amino-1,2-dihydro-1,2,4-triazin-6-yl)-2-fluorobenzonitrile
CID 130239584
5-(2,4-dimethylphenyl)-1H-pyrazole-4-carbonitrile
CID 39096346
5-(4-bromo-3-fluorophenyl)-2H-tetrazole
CID 131599403
5-(2-methyl-3-pyridinyl)-1H-pyrazole-4-carbonitrile
CID 67841089
6-(4-bromo-3-fluorophenyl)-1,3,5-triazine-2,4-diamine
CID 112681578
4-bromo-5-(3,4-dichlorophenyl)-1H-pyrazole
CID 15766316
4-(5-bromo-2-chloropyrimidin-4-yl)-2-fluorobenzonitrile
CID 118142117
4-(6,7-dihydro-1H-indazol-4-yl)-2-fluorobenzonitrile
CID 71114832
2-bromo-5-chloro-N-(4-cyano-1H-pyrazol-5-yl)benzamide
CID 114027651

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromo-3-fluorophenyl)-1H-pyrazole-4-carbonitrile?
The IUPAC name of 5-(4-bromo-3-fluorophenyl)-1H-pyrazole-4-carbonitrile (CID 164945787) is 5-(4-bromo-3-fluorophenyl)-1H-pyrazole-4-carbonitrile.
What is the SMILES notation for 5-(4-bromo-3-fluorophenyl)-1H-pyrazole-4-carbonitrile?
The canonical SMILES for 5-(4-bromo-3-fluorophenyl)-1H-pyrazole-4-carbonitrile is N#Cc1cn[nH]c1-c1ccc(Br)c(F)c1.
What is the InChIKey of 5-(4-bromo-3-fluorophenyl)-1H-pyrazole-4-carbonitrile?
The InChIKey is YCGIRPBVNLYKKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrFN3/c11-8-2-1-6(3-9(8)12)10-7(4-13)5-14-15-10/h1-3,5H,(H,14,15).
What are the key properties of 5-(4-bromo-3-fluorophenyl)-1H-pyrazole-4-carbonitrile?
5-(4-bromo-3-fluorophenyl)-1H-pyrazole-4-carbonitrile has a molecular weight of 266.07 g/mol, XLogP of 2.85, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromo-3-fluorophenyl)-1H-pyrazole-4-carbonitrile is sourced from PubChem (CID 164945787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).