bis(dibromocadmium);bis(3,5-dimethyl-N,N-bis(pyrazol-1-ylmethyl)aniline)

C32H38Br4Cd2N10 — CID 139240434

IUPACbis(dibromocadmium);bis(3,5-dimethyl-N,N-bis(pyrazol-1-ylmethyl)aniline)
SMILESBr[Cd]Br.Br[Cd]Br.Cc1cc(C)cc(N(Cn2cccn2)Cn2cccn2)c1.Cc1cc(C)cc(N(Cn2cccn2)Cn2cccn2)c1
InChIInChI=1S/2C16H19N5.4BrH.2Cd/c2*1-14-9-15(2)11-16(10-14)19(12-20-7-3-5-17-20)13-21-8-4-6-18-21;;;;;;/h2*3-11H,12-13H2,1-2H3;4*1H;;/q;;;;;;2*+2/p-4
InChIKeyLWTMFLSQUGFFEP-UHFFFAOYSA-J
MW1107.17 g/mol
LogP9.01
Rot. Bonds10

About bis(dibromocadmium);bis(3,5-dimethyl-N,N-bis(pyrazol-1-ylmethyl)aniline)

bis(dibromocadmium);bis(3,5-dimethyl-N,N-bis(pyrazol-1-ylmethyl)aniline) (PubChem CID 139240434) has the molecular formula C32H38Br4Cd2N10 and a molecular weight of 1107.17 g/mol. Its IUPAC name is bis(dibromocadmium);bis(3,5-dimethyl-N,N-bis(pyrazol-1-ylmethyl)aniline).

Molecular Properties

Compound Namebis(dibromocadmium);bis(3,5-dimethyl-N,N-bis(pyrazol-1-ylmethyl)aniline)
PubChem CID139240434
Molecular FormulaC32H38Br4Cd2N10
Molecular Weight1107.17 g/mol
Exact Mass1105.81
IUPAC Namebis(dibromocadmium);bis(3,5-dimethyl-N,N-bis(pyrazol-1-ylmethyl)aniline)
SMILESBr[Cd]Br.Br[Cd]Br.Cc1cc(C)cc(N(Cn2cccn2)Cn2cccn2)c1.Cc1cc(C)cc(N(Cn2cccn2)Cn2cccn2)c1
InChIInChI=1S/2C16H19N5.4BrH.2Cd/c2*1-14-9-15(2)11-16(10-14)19(12-20-7-3-5-17-20)13-21-8-4-6-18-21;;;;;;/h2*3-11H,12-13H2,1-2H3;4*1H;;/q;;;;;;2*+2/p-4
InChIKeyLWTMFLSQUGFFEP-UHFFFAOYSA-J
XLogP9.01
TPSA77.76 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001107.17
LogP ≤ 59.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Related Compounds

1H-Pyrazole, 1,1',1''-methylidynetris[3-phenyl-
CID 5242475
1-[Bis[3-(2,4,6-trimethylphenyl)pyrazol-1-yl]methyl]-5-(2,4,6-trimethylphenyl)pyrazole
CID 24755215
1,4-Bis(di(1H-pyrazol-1-yl)methyl)benzene
CID 91103256
1-[[3-[Di(pyrazol-1-yl)methyl]phenyl]-pyrazol-1-ylmethyl]pyrazole
CID 91184187
1-[Bis[3-(2,4,6-trimethylphenyl)pyrazol-1-yl]methyl]-3-(2,4,6-trimethylphenyl)pyrazole
CID 101454350
m-Bis[bis(3,5-dimethyl-1-pyrazolyl)-methyl]benzene
CID 102293113
N,N,N',N'-tetrakis(3,5-dimethylpyrazol-1-ylmethyl)-alpha,alpha'-di-amino-m-xylene
CID 129729322
4-[Tri(pyrazol-1-yl)methyl]aniline
CID 139090539
bis(N,N-bis(pyrazol-1-ylmethyl)aniline);bis(dibromocadmium)
CID 139240431
bis(dibromocadmium);bis(4-methyl-N,N-bis(pyrazol-1-ylmethyl)aniline)
CID 139240432
3,5-dimethyl-N,N-bis(pyrazol-1-ylmethyl)aniline
CID 139240435
dibromocadmium;2,6-dimethyl-N,N-bis(pyrazol-1-ylmethyl)aniline
CID 139240437

Frequently Asked Questions

What is the IUPAC name of bis(dibromocadmium);bis(3,5-dimethyl-N,N-bis(pyrazol-1-ylmethyl)aniline)?
The IUPAC name of bis(dibromocadmium);bis(3,5-dimethyl-N,N-bis(pyrazol-1-ylmethyl)aniline) (CID 139240434) is bis(dibromocadmium);bis(3,5-dimethyl-N,N-bis(pyrazol-1-ylmethyl)aniline).
What is the SMILES notation for bis(dibromocadmium);bis(3,5-dimethyl-N,N-bis(pyrazol-1-ylmethyl)aniline)?
The canonical SMILES for bis(dibromocadmium);bis(3,5-dimethyl-N,N-bis(pyrazol-1-ylmethyl)aniline) is Br[Cd]Br.Br[Cd]Br.Cc1cc(C)cc(N(Cn2cccn2)Cn2cccn2)c1.Cc1cc(C)cc(N(Cn2cccn2)Cn2cccn2)c1.
What is the InChIKey of bis(dibromocadmium);bis(3,5-dimethyl-N,N-bis(pyrazol-1-ylmethyl)aniline)?
The InChIKey is LWTMFLSQUGFFEP-UHFFFAOYSA-J. The full InChI is InChI=1S/2C16H19N5.4BrH.2Cd/c2*1-14-9-15(2)11-16(10-14)19(12-20-7-3-5-17-20)13-21-8-4-6-18-21;;;;;;/h2*3-11H,12-13H2,1-2H3;4*1H;;/q;;;;;;2*+2/p-4.
What are the key properties of bis(dibromocadmium);bis(3,5-dimethyl-N,N-bis(pyrazol-1-ylmethyl)aniline)?
bis(dibromocadmium);bis(3,5-dimethyl-N,N-bis(pyrazol-1-ylmethyl)aniline) has a molecular weight of 1107.17 g/mol, XLogP of 9.01, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for bis(dibromocadmium);bis(3,5-dimethyl-N,N-bis(pyrazol-1-ylmethyl)aniline) is sourced from PubChem (CID 139240434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).