copper(1+);bis(1-[diphenyl(pyrazol-1-yl)methyl]pyrazole)

C38H32CuN8+ — CID 5247499

IUPACcopper(1+);bis(1-[diphenyl(pyrazol-1-yl)methyl]pyrazole)
SMILES[Cu+].c1ccc(C(c2ccccc2)(n2cccn2)n2cccn2)cc1.c1ccc(C(c2ccccc2)(n2cccn2)n2cccn2)cc1
InChIInChI=1S/2C19H16N4.Cu/c2*1-3-9-17(10-4-1)19(22-15-7-13-20-22,23-16-8-14-21-23)18-11-5-2-6-12-18;/h2*1-16H;/q;;+1
InChIKeyZGHNMXZPDDQGIM-UHFFFAOYSA-N
MW664.28 g/mol
LogP6.75
Rot. Bonds8

About copper(1+);bis(1-[diphenyl(pyrazol-1-yl)methyl]pyrazole)

copper(1+);bis(1-[diphenyl(pyrazol-1-yl)methyl]pyrazole) (PubChem CID 5247499) has the molecular formula C38H32CuN8+ and a molecular weight of 664.28 g/mol. Its IUPAC name is copper(1+);bis(1-[diphenyl(pyrazol-1-yl)methyl]pyrazole).

Molecular Properties

Compound Namecopper(1+);bis(1-[diphenyl(pyrazol-1-yl)methyl]pyrazole)
PubChem CID5247499
Molecular FormulaC38H32CuN8+
Molecular Weight664.28 g/mol
Exact Mass663.20
IUPAC Namecopper(1+);bis(1-[diphenyl(pyrazol-1-yl)methyl]pyrazole)
SMILES[Cu+].c1ccc(C(c2ccccc2)(n2cccn2)n2cccn2)cc1.c1ccc(C(c2ccccc2)(n2cccn2)n2cccn2)cc1
InChIInChI=1S/2C19H16N4.Cu/c2*1-3-9-17(10-4-1)19(22-15-7-13-20-22,23-16-8-14-21-23)18-11-5-2-6-12-18;/h2*1-16H;/q;;+1
InChIKeyZGHNMXZPDDQGIM-UHFFFAOYSA-N
XLogP6.75
TPSA71.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500664.28
LogP ≤ 56.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze copper(1+);bis(1-[diphenyl(pyrazol-1-yl)methyl]pyrazole) 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

bis((1Z,5Z)-cycloocta-1,5-diene);bis(iridium);bis(1-(pyrazol-1-ylmethyl)pyrazole);bis(tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide)
CID 139148998
(1Z,5Z)-cycloocta-1,5-diene;1-[[3-[di(pyrazol-1-yl)methyl]phenyl]-pyrazol-1-ylmethyl]pyrazole;iridium;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide
CID 139157245
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
Bis[bis(3-phenylpyrazol-1-yl)(pyrazol-1-yl)methane]copper(II) bis(perchlorate) acetonitrile solvate
CID 139059349
u-oxalato-bis-[(diphenyldipyrazolylmethane)copper(II) nitrate]
CID 139129509
Dicopper;bis(1-[[3-[di(pyrazol-1-yl)methyl]phenyl]-pyrazol-1-ylmethyl]pyrazole);hydroxide;triperchlorate;dihydrate
CID 139140664
(1Z,5Z)-cycloocta-1,5-diene;rhodium;tetraphenylboranuide;4-[tri(pyrazol-1-yl)methyl]aniline
CID 139176014
Bis(2-(indazol-2-ylmethyl)indazole);palladium(2+);dichloride
CID 139177294
Silver;bis(1-(indazol-1-ylmethyl)indazole);nitrate
CID 139196870
Silver;bis(1-(indazol-1-ylmethyl)indazole);perchlorate
CID 139196873
Silver;bis(1-(indazol-1-ylmethyl)indazole);tetrafluoroborate
CID 139196874

Frequently Asked Questions

What is the IUPAC name of copper(1+);bis(1-[diphenyl(pyrazol-1-yl)methyl]pyrazole)?
The IUPAC name of copper(1+);bis(1-[diphenyl(pyrazol-1-yl)methyl]pyrazole) (CID 5247499) is copper(1+);bis(1-[diphenyl(pyrazol-1-yl)methyl]pyrazole).
What is the SMILES notation for copper(1+);bis(1-[diphenyl(pyrazol-1-yl)methyl]pyrazole)?
The canonical SMILES for copper(1+);bis(1-[diphenyl(pyrazol-1-yl)methyl]pyrazole) is [Cu+].c1ccc(C(c2ccccc2)(n2cccn2)n2cccn2)cc1.c1ccc(C(c2ccccc2)(n2cccn2)n2cccn2)cc1.
What is the InChIKey of copper(1+);bis(1-[diphenyl(pyrazol-1-yl)methyl]pyrazole)?
The InChIKey is ZGHNMXZPDDQGIM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H16N4.Cu/c2*1-3-9-17(10-4-1)19(22-15-7-13-20-22,23-16-8-14-21-23)18-11-5-2-6-12-18;/h2*1-16H;/q;;+1.
What are the key properties of copper(1+);bis(1-[diphenyl(pyrazol-1-yl)methyl]pyrazole)?
copper(1+);bis(1-[diphenyl(pyrazol-1-yl)methyl]pyrazole) has a molecular weight of 664.28 g/mol, XLogP of 6.75, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for copper(1+);bis(1-[diphenyl(pyrazol-1-yl)methyl]pyrazole) is sourced from PubChem (CID 5247499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).