copper bis(3-methyl-1-phenyl-4-propanoylpyrazol-5-olate)

C26H26CuN4O4 — CID 6515106

IUPACcopper bis(3-methyl-1-phenyl-4-propanoylpyrazol-5-olate)
SMILESCCC(=O)c1c(C)nn(-c2ccccc2)c1[O-].CCC(=O)c1c(C)nn(-c2ccccc2)c1[O-].[Cu+2]
InChIInChI=1S/2C13H14N2O2.Cu/c2*1-3-11(16)12-9(2)14-15(13(12)17)10-7-5-4-6-8-10;/h2*4-8,17H,3H2,1-2H3;/q;;+2/p-2
InChIKeyUJFRPYXQOJQHEE-UHFFFAOYSA-L
MW522.06 g/mol
LogP3.69
Rot. Bonds6

About copper bis(3-methyl-1-phenyl-4-propanoylpyrazol-5-olate)

copper bis(3-methyl-1-phenyl-4-propanoylpyrazol-5-olate) (PubChem CID 6515106) has the molecular formula C26H26CuN4O4 and a molecular weight of 522.06 g/mol. Its IUPAC name is copper bis(3-methyl-1-phenyl-4-propanoylpyrazol-5-olate).

Molecular Properties

Compound Namecopper bis(3-methyl-1-phenyl-4-propanoylpyrazol-5-olate)
PubChem CID6515106
Molecular FormulaC26H26CuN4O4
Molecular Weight522.06 g/mol
Exact Mass521.13
IUPAC Namecopper bis(3-methyl-1-phenyl-4-propanoylpyrazol-5-olate)
SMILESCCC(=O)c1c(C)nn(-c2ccccc2)c1[O-].CCC(=O)c1c(C)nn(-c2ccccc2)c1[O-].[Cu+2]
InChIInChI=1S/2C13H14N2O2.Cu/c2*1-3-11(16)12-9(2)14-15(13(12)17)10-7-5-4-6-8-10;/h2*4-8,17H,3H2,1-2H3;/q;;+2/p-2
InChIKeyUJFRPYXQOJQHEE-UHFFFAOYSA-L
XLogP3.69
TPSA115.90 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.06
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze copper bis(3-methyl-1-phenyl-4-propanoylpyrazol-5-olate) 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

4-[(E)-N-methoxy-C-methylcarbonimidoyl]-3-methyl-1-phenylpyrazol-5-olate
CID 140654635
5-fluoro-3-methyl-1-phenylpyrazole-4-carboxamide
CID 121222038
4-(2-chloroacetyl)-3-methyl-1-phenylpyrazole-5-carbaldehyde
CID 174367620
5-(2-hydroxyethyl)-3-methyl-1-phenylpyrazole-4-carboxylic acid
CID 12826132
5-ethyl-3-methyl-N,1-diphenylpyrazole-4-carboxamide
CID 163806603
6-ethyl-4-oxo-1-phenyl-5-propanoylpyridazine-3-carboxylic acid
CID 70472952
[3,5-bis(5-hydroxy-3-methyl-1-phenylpyrazole-4-carbonyl)phenyl]-(5-hydroxy-3-methyl-1-phenylpyrazol-4-yl)methanone
CID 136797774
1-(5-amino-1-phenylpyrazol-4-yl)propan-1-one
CID 15112560
5-[butyl(methyl)amino]-3-methyl-1-phenylpyrazole-4-carboxylic acid
CID 28952087
N-(2-aminoethyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 119382148
N-benzyl-3-methyl-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20892655
N-cyclopropyl-5-ethyl-3-methyl-1-phenylpyrazole-4-carboxamide
CID 42818280

Frequently Asked Questions

What is the IUPAC name of copper bis(3-methyl-1-phenyl-4-propanoylpyrazol-5-olate)?
The IUPAC name of copper bis(3-methyl-1-phenyl-4-propanoylpyrazol-5-olate) (CID 6515106) is copper bis(3-methyl-1-phenyl-4-propanoylpyrazol-5-olate).
What is the SMILES notation for copper bis(3-methyl-1-phenyl-4-propanoylpyrazol-5-olate)?
The canonical SMILES for copper bis(3-methyl-1-phenyl-4-propanoylpyrazol-5-olate) is CCC(=O)c1c(C)nn(-c2ccccc2)c1[O-].CCC(=O)c1c(C)nn(-c2ccccc2)c1[O-].[Cu+2].
What is the InChIKey of copper bis(3-methyl-1-phenyl-4-propanoylpyrazol-5-olate)?
The InChIKey is UJFRPYXQOJQHEE-UHFFFAOYSA-L. The full InChI is InChI=1S/2C13H14N2O2.Cu/c2*1-3-11(16)12-9(2)14-15(13(12)17)10-7-5-4-6-8-10;/h2*4-8,17H,3H2,1-2H3;/q;;+2/p-2.
What are the key properties of copper bis(3-methyl-1-phenyl-4-propanoylpyrazol-5-olate)?
copper bis(3-methyl-1-phenyl-4-propanoylpyrazol-5-olate) has a molecular weight of 522.06 g/mol, XLogP of 3.69, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for copper bis(3-methyl-1-phenyl-4-propanoylpyrazol-5-olate) is sourced from PubChem (CID 6515106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).