bis(dibromocadmium);bis(4-methyl-N,N-bis(pyrazol-1-ylmethyl)aniline)

C30H34Br4Cd2N10 — CID 139240432

IUPACbis(dibromocadmium);bis(4-methyl-N,N-bis(pyrazol-1-ylmethyl)aniline)
SMILESBr[Cd]Br.Br[Cd]Br.Cc1ccc(N(Cn2cccn2)Cn2cccn2)cc1.Cc1ccc(N(Cn2cccn2)Cn2cccn2)cc1
InChIInChI=1S/2C15H17N5.4BrH.2Cd/c2*1-14-4-6-15(7-5-14)18(12-19-10-2-8-16-19)13-20-11-3-9-17-20;;;;;;/h2*2-11H,12-13H2,1H3;4*1H;;/q;;;;;;2*+2/p-4
InChIKeyQFCUJJAPZSLRFC-UHFFFAOYSA-J
MW1079.11 g/mol
LogP8.40
Rot. Bonds10

About bis(dibromocadmium);bis(4-methyl-N,N-bis(pyrazol-1-ylmethyl)aniline)

bis(dibromocadmium);bis(4-methyl-N,N-bis(pyrazol-1-ylmethyl)aniline) (PubChem CID 139240432) has the molecular formula C30H34Br4Cd2N10 and a molecular weight of 1079.11 g/mol. Its IUPAC name is bis(dibromocadmium);bis(4-methyl-N,N-bis(pyrazol-1-ylmethyl)aniline).

Molecular Properties

Compound Namebis(dibromocadmium);bis(4-methyl-N,N-bis(pyrazol-1-ylmethyl)aniline)
PubChem CID139240432
Molecular FormulaC30H34Br4Cd2N10
Molecular Weight1079.11 g/mol
Exact Mass1077.78
IUPAC Namebis(dibromocadmium);bis(4-methyl-N,N-bis(pyrazol-1-ylmethyl)aniline)
SMILESBr[Cd]Br.Br[Cd]Br.Cc1ccc(N(Cn2cccn2)Cn2cccn2)cc1.Cc1ccc(N(Cn2cccn2)Cn2cccn2)cc1
InChIInChI=1S/2C15H17N5.4BrH.2Cd/c2*1-14-4-6-15(7-5-14)18(12-19-10-2-8-16-19)13-20-11-3-9-17-20;;;;;;/h2*2-11H,12-13H2,1H3;4*1H;;/q;;;;;;2*+2/p-4
InChIKeyQFCUJJAPZSLRFC-UHFFFAOYSA-J
XLogP8.40
TPSA77.76 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001079.11
LogP ≤ 58.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1H-Pyrazole, 1,1',1''-methylidynetris[3-phenyl-
CID 5242475
4-[Tri(pyrazol-1-yl)methyl]aniline
CID 24180282
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
1,4-Bis[bis(3,5-dimethyl-1h-pyrazol-1-yl)methyl]benzene
CID 101482825
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
4-methyl-N,N-bis(pyrazol-1-ylmethyl)aniline
CID 139240433
bis(dibromocadmium);bis(3,5-dimethyl-N,N-bis(pyrazol-1-ylmethyl)aniline)
CID 139240434
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(4-methyl-N,N-bis(pyrazol-1-ylmethyl)aniline)?
The IUPAC name of bis(dibromocadmium);bis(4-methyl-N,N-bis(pyrazol-1-ylmethyl)aniline) (CID 139240432) is bis(dibromocadmium);bis(4-methyl-N,N-bis(pyrazol-1-ylmethyl)aniline).
What is the SMILES notation for bis(dibromocadmium);bis(4-methyl-N,N-bis(pyrazol-1-ylmethyl)aniline)?
The canonical SMILES for bis(dibromocadmium);bis(4-methyl-N,N-bis(pyrazol-1-ylmethyl)aniline) is Br[Cd]Br.Br[Cd]Br.Cc1ccc(N(Cn2cccn2)Cn2cccn2)cc1.Cc1ccc(N(Cn2cccn2)Cn2cccn2)cc1.
What is the InChIKey of bis(dibromocadmium);bis(4-methyl-N,N-bis(pyrazol-1-ylmethyl)aniline)?
The InChIKey is QFCUJJAPZSLRFC-UHFFFAOYSA-J. The full InChI is InChI=1S/2C15H17N5.4BrH.2Cd/c2*1-14-4-6-15(7-5-14)18(12-19-10-2-8-16-19)13-20-11-3-9-17-20;;;;;;/h2*2-11H,12-13H2,1H3;4*1H;;/q;;;;;;2*+2/p-4.
What are the key properties of bis(dibromocadmium);bis(4-methyl-N,N-bis(pyrazol-1-ylmethyl)aniline)?
bis(dibromocadmium);bis(4-methyl-N,N-bis(pyrazol-1-ylmethyl)aniline) has a molecular weight of 1079.11 g/mol, XLogP of 8.40, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for bis(dibromocadmium);bis(4-methyl-N,N-bis(pyrazol-1-ylmethyl)aniline) is sourced from PubChem (CID 139240432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).