1-(2-bromophenyl)-5-pyridin-3-ylpyrazole-3-carbonitrile

C15H9BrN4 — CID 82220249

IUPAC1-(2-bromophenyl)-5-pyridin-3-ylpyrazole-3-carbonitrile
SMILESN#Cc1cc(-c2cccnc2)n(-c2ccccc2Br)n1
InChIInChI=1S/C15H9BrN4/c16-13-5-1-2-6-14(13)20-15(8-12(9-17)19-20)11-4-3-7-18-10-11/h1-8,10H
InChIKeyRKMVBGMFBGENNA-UHFFFAOYSA-N
MW325.17 g/mol
LogP3.57
Rot. Bonds2

About 1-(2-bromophenyl)-5-pyridin-3-ylpyrazole-3-carbonitrile

1-(2-bromophenyl)-5-pyridin-3-ylpyrazole-3-carbonitrile (PubChem CID 82220249) has the molecular formula C15H9BrN4 and a molecular weight of 325.17 g/mol. Its IUPAC name is 1-(2-bromophenyl)-5-pyridin-3-ylpyrazole-3-carbonitrile.

Molecular Properties

Compound Name1-(2-bromophenyl)-5-pyridin-3-ylpyrazole-3-carbonitrile
PubChem CID82220249
Molecular FormulaC15H9BrN4
Molecular Weight325.17 g/mol
Exact Mass324.00
IUPAC Name1-(2-bromophenyl)-5-pyridin-3-ylpyrazole-3-carbonitrile
SMILESN#Cc1cc(-c2cccnc2)n(-c2ccccc2Br)n1
InChIInChI=1S/C15H9BrN4/c16-13-5-1-2-6-14(13)20-15(8-12(9-17)19-20)11-4-3-7-18-10-11/h1-8,10H
InChIKeyRKMVBGMFBGENNA-UHFFFAOYSA-N
XLogP3.57
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.17
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(2-bromophenyl)-5-pyridin-3-ylpyrazole-3-carbonitrile 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

5-pyridin-2-yl-1-quinolin-8-ylpyrazole-3-carbonitrile
CID 82220280
2-[3-(4-chlorophenyl)-5-pyridin-3-ylpyrazol-1-yl]benzenesulfonamide
CID 67580466
1-(2-bromophenyl)-5-phenyltriazole
CID 102046608
3-bromo-4-hydroxy-5-pyridin-3-ylbenzonitrile
CID 167329027
3-(2,6-dibromophenyl)pyridine
CID 76539776
2-amino-6-(2-bromophenyl)-4-pyridin-3-ylpyridine-3-carbonitrile
CID 5117531
1-(2-bromophenyl)-6-methyl-4-oxopyridazine-3-carbonitrile
CID 82422026
4-pyridin-3-ylimidazo[1,5-a]pyrimidine-8-carbonitrile
CID 13117358
4-(2-bromophenyl)-6-pyridin-3-ylpyrimidine
CID 162656267
2-(2-bromophenyl)-4-phenyl-6-pyridin-3-yl-4,5-dihydropyridazin-3-one
CID 10158220
3-pyridin-3-yl-6,7-dihydro-5H-pyrrolizine-1-carbonitrile
CID 13375485
1-(2-methoxyphenyl)-5-pyridin-3-yltriazole-4-carbonitrile
CID 82199035

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-5-pyridin-3-ylpyrazole-3-carbonitrile?
The IUPAC name of 1-(2-bromophenyl)-5-pyridin-3-ylpyrazole-3-carbonitrile (CID 82220249) is 1-(2-bromophenyl)-5-pyridin-3-ylpyrazole-3-carbonitrile.
What is the SMILES notation for 1-(2-bromophenyl)-5-pyridin-3-ylpyrazole-3-carbonitrile?
The canonical SMILES for 1-(2-bromophenyl)-5-pyridin-3-ylpyrazole-3-carbonitrile is N#Cc1cc(-c2cccnc2)n(-c2ccccc2Br)n1.
What is the InChIKey of 1-(2-bromophenyl)-5-pyridin-3-ylpyrazole-3-carbonitrile?
The InChIKey is RKMVBGMFBGENNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrN4/c16-13-5-1-2-6-14(13)20-15(8-12(9-17)19-20)11-4-3-7-18-10-11/h1-8,10H.
What are the key properties of 1-(2-bromophenyl)-5-pyridin-3-ylpyrazole-3-carbonitrile?
1-(2-bromophenyl)-5-pyridin-3-ylpyrazole-3-carbonitrile has a molecular weight of 325.17 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-5-pyridin-3-ylpyrazole-3-carbonitrile is sourced from PubChem (CID 82220249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).