dibromocadmium;2,6-dimethyl-N,N-bis(pyrazol-1-ylmethyl)aniline

C16H19Br2CdN5 — CID 139240437

IUPACdibromocadmium;2,6-dimethyl-N,N-bis(pyrazol-1-ylmethyl)aniline
SMILESBr[Cd]Br.Cc1cccc(C)c1N(Cn1cccn1)Cn1cccn1
InChIInChI=1S/C16H19N5.2BrH.Cd/c1-14-6-3-7-15(2)16(14)19(12-20-10-4-8-17-20)13-21-11-5-9-18-21;;;/h3-11H,12-13H2,1-2H3;2*1H;/q;;;+2/p-2
InChIKeyGFRBPWDFCRMDLT-UHFFFAOYSA-L
MW553.58 g/mol
LogP4.51
Rot. Bonds5

About dibromocadmium;2,6-dimethyl-N,N-bis(pyrazol-1-ylmethyl)aniline

dibromocadmium;2,6-dimethyl-N,N-bis(pyrazol-1-ylmethyl)aniline (PubChem CID 139240437) has the molecular formula C16H19Br2CdN5 and a molecular weight of 553.58 g/mol. Its IUPAC name is dibromocadmium;2,6-dimethyl-N,N-bis(pyrazol-1-ylmethyl)aniline.

Molecular Properties

Compound Namedibromocadmium;2,6-dimethyl-N,N-bis(pyrazol-1-ylmethyl)aniline
PubChem CID139240437
Molecular FormulaC16H19Br2CdN5
Molecular Weight553.58 g/mol
Exact Mass552.90
IUPAC Namedibromocadmium;2,6-dimethyl-N,N-bis(pyrazol-1-ylmethyl)aniline
SMILESBr[Cd]Br.Cc1cccc(C)c1N(Cn1cccn1)Cn1cccn1
InChIInChI=1S/C16H19N5.2BrH.Cd/c1-14-6-3-7-15(2)16(14)19(12-20-10-4-8-17-20)13-21-11-5-9-18-21;;;/h3-11H,12-13H2,1-2H3;2*1H;/q;;;+2/p-2
InChIKeyGFRBPWDFCRMDLT-UHFFFAOYSA-L
XLogP4.51
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500553.58
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze dibromocadmium;2,6-dimethyl-N,N-bis(pyrazol-1-ylmethyl)aniline 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

Metazachlor metabolite M6
CID 51071992
3-methyl-6-(3-{1-[2-(1-pyrrolidinyl)ethyl]-1H-pyrazol-3-yl}phenyl)pyridazine
CID 29149585
N-[(1-methyl-1H-pyrazol-4-yl)methyl]-N-[3-(1H-pyrazol-1-yl)benzyl]cyclopropanamine
CID 50982921
N,N,1,3-tetramethyl-4-[[[3-(pyrazol-1-ylmethyl)phenyl]methylamino]methyl]pyrazol-5-amine
CID 51105193
1,3-Bis(pyrazolyl-1-carbonyl)benzene
CID 15190535
N,N-bis((1h-pyrazol-1-yl)methyl)-4-fluoroaniline
CID 102288819
Bis(2-benzodiazolyl)methane
CID 21609283
1-[2-Methyl-6-(3-methyl-2-pyrazol-1-ylphenyl)phenyl]pyrazole
CID 101514070
N-benzyl-N,N-bis[(3,5-dimethyl-1h-pyrazol-1-yl)methyl]amine
CID 2755344
N,N-bis(pyrazol-1-ylmethyl)aniline
CID 12820759
1-[2,4-Dimethyl-5-(3-methylpyrazol-1-yl)phenyl]-3-methylpyrazole
CID 58965516
1-methyl-4-[3-[1-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]pyrazol-3-yl]phenyl]pyrazole
CID 31258994

Frequently Asked Questions

What is the IUPAC name of dibromocadmium;2,6-dimethyl-N,N-bis(pyrazol-1-ylmethyl)aniline?
The IUPAC name of dibromocadmium;2,6-dimethyl-N,N-bis(pyrazol-1-ylmethyl)aniline (CID 139240437) is dibromocadmium;2,6-dimethyl-N,N-bis(pyrazol-1-ylmethyl)aniline.
What is the SMILES notation for dibromocadmium;2,6-dimethyl-N,N-bis(pyrazol-1-ylmethyl)aniline?
The canonical SMILES for dibromocadmium;2,6-dimethyl-N,N-bis(pyrazol-1-ylmethyl)aniline is Br[Cd]Br.Cc1cccc(C)c1N(Cn1cccn1)Cn1cccn1.
What is the InChIKey of dibromocadmium;2,6-dimethyl-N,N-bis(pyrazol-1-ylmethyl)aniline?
The InChIKey is GFRBPWDFCRMDLT-UHFFFAOYSA-L. The full InChI is InChI=1S/C16H19N5.2BrH.Cd/c1-14-6-3-7-15(2)16(14)19(12-20-10-4-8-17-20)13-21-11-5-9-18-21;;;/h3-11H,12-13H2,1-2H3;2*1H;/q;;;+2/p-2.
What are the key properties of dibromocadmium;2,6-dimethyl-N,N-bis(pyrazol-1-ylmethyl)aniline?
dibromocadmium;2,6-dimethyl-N,N-bis(pyrazol-1-ylmethyl)aniline has a molecular weight of 553.58 g/mol, XLogP of 4.51, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dibromocadmium;2,6-dimethyl-N,N-bis(pyrazol-1-ylmethyl)aniline is sourced from PubChem (CID 139240437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).