chromium;4-[[2-hydroxy-5-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]iminomethyl]-3-methyl-1-phenylpyrazol-5-ol;4-[(2-hydroxy-5-methylsulfonylphenyl)iminomethyl]-3-methyl-1-phenylpyrazol-5-ol

C37H36CrN6O7S2 — CID 170524799

IUPACchromium;4-[[2-hydroxy-5-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]iminomethyl]-3-methyl-1-phenylpyrazol-5-ol;4-[(2-hydroxy-5-methylsulfonylphenyl)iminomethyl]-3-methyl-1-phenylpyrazol-5-ol
SMILESC=S(C)(=O)c1ccc(O)c(/N=C\c2c(C)nn(-c3ccccc3)c2O)c1.Cc1nn(-c2ccccc2)c(O)c1/C=N\c1cc(S(C)(=O)=O)ccc1O.[Cr]
InChIInChI=1S/C19H19N3O3S.C18H17N3O4S.Cr/c1-13-16(19(24)22(21-13)14-7-5-4-6-8-14)12-20-17-11-15(26(2,3)25)9-10-18(17)23;1-12-15(18(23)21(20-12)13-6-4-3-5-7-13)11-19-16-10-14(26(2,24)25)8-9-17(16)22;/h4-12,23-24H,2H2,1,3H3;3-11,22-23H,1-2H3;/b20-12-;19-11-;
InChIKeySDDQNYUGJNKHGV-HYTLMQPQSA-N
MW792.86 g/mol
LogP5.79
Rot. Bonds8

About chromium;4-[[2-hydroxy-5-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]iminomethyl]-3-methyl-1-phenylpyrazol-5-ol;4-[(2-hydroxy-5-methylsulfonylphenyl)iminomethyl]-3-methyl-1-phenylpyrazol-5-ol

chromium;4-[[2-hydroxy-5-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]iminomethyl]-3-methyl-1-phenylpyrazol-5-ol;4-[(2-hydroxy-5-methylsulfonylphenyl)iminomethyl]-3-methyl-1-phenylpyrazol-5-ol (PubChem CID 170524799) has the molecular formula C37H36CrN6O7S2 and a molecular weight of 792.86 g/mol. Its IUPAC name is chromium;4-[[2-hydroxy-5-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]iminomethyl]-3-methyl-1-phenylpyrazol-5-ol;4-[(2-hydroxy-5-methylsulfonylphenyl)iminomethyl]-3-methyl-1-phenylpyrazol-5-ol.

Molecular Properties

Compound Namechromium;4-[[2-hydroxy-5-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]iminomethyl]-3-methyl-1-phenylpyrazol-5-ol;4-[(2-hydroxy-5-methylsulfonylphenyl)iminomethyl]-3-methyl-1-phenylpyrazol-5-ol
PubChem CID170524799
Molecular FormulaC37H36CrN6O7S2
Molecular Weight792.86 g/mol
Exact Mass792.15
IUPAC Namechromium;4-[[2-hydroxy-5-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]iminomethyl]-3-methyl-1-phenylpyrazol-5-ol;4-[(2-hydroxy-5-methylsulfonylphenyl)iminomethyl]-3-methyl-1-phenylpyrazol-5-ol
SMILESC=S(C)(=O)c1ccc(O)c(/N=C\c2c(C)nn(-c3ccccc3)c2O)c1.Cc1nn(-c2ccccc2)c(O)c1/C=N\c1cc(S(C)(=O)=O)ccc1O.[Cr]
InChIInChI=1S/C19H19N3O3S.C18H17N3O4S.Cr/c1-13-16(19(24)22(21-13)14-7-5-4-6-8-14)12-20-17-11-15(26(2,3)25)9-10-18(17)23;1-12-15(18(23)21(20-12)13-6-4-3-5-7-13)11-19-16-10-14(26(2,24)25)8-9-17(16)22;/h4-12,23-24H,2H2,1,3H3;3-11,22-23H,1-2H3;/b20-12-;19-11-;
InChIKeySDDQNYUGJNKHGV-HYTLMQPQSA-N
XLogP5.79
TPSA192.49 Ų
H-Bond Donors4
H-Bond Acceptors13
Rotatable Bonds8
Heavy Atoms53
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500792.86
LogP ≤ 55.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_5_pyrazole_OH(14)', 'substructure': 'N/A'}, {'alert_name': 'imine_phenol_A(3)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze chromium;4-[[2-hydroxy-5-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]iminomethyl]-3-methyl-1-phenylpyrazol-5-ol;4-[(2-hydroxy-5-methylsulfonylphenyl)iminomethyl]-3-methyl-1-phenylpyrazol-5-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of chromium;4-[[2-hydroxy-5-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]iminomethyl]-3-methyl-1-phenylpyrazol-5-ol;4-[(2-hydroxy-5-methylsulfonylphenyl)iminomethyl]-3-methyl-1-phenylpyrazol-5-ol?
The IUPAC name of chromium;4-[[2-hydroxy-5-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]iminomethyl]-3-methyl-1-phenylpyrazol-5-ol;4-[(2-hydroxy-5-methylsulfonylphenyl)iminomethyl]-3-methyl-1-phenylpyrazol-5-ol (CID 170524799) is chromium;4-[[2-hydroxy-5-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]iminomethyl]-3-methyl-1-phenylpyrazol-5-ol;4-[(2-hydroxy-5-methylsulfonylphenyl)iminomethyl]-3-methyl-1-phenylpyrazol-5-ol.
What is the SMILES notation for chromium;4-[[2-hydroxy-5-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]iminomethyl]-3-methyl-1-phenylpyrazol-5-ol;4-[(2-hydroxy-5-methylsulfonylphenyl)iminomethyl]-3-methyl-1-phenylpyrazol-5-ol?
The canonical SMILES for chromium;4-[[2-hydroxy-5-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]iminomethyl]-3-methyl-1-phenylpyrazol-5-ol;4-[(2-hydroxy-5-methylsulfonylphenyl)iminomethyl]-3-methyl-1-phenylpyrazol-5-ol is C=S(C)(=O)c1ccc(O)c(/N=C\c2c(C)nn(-c3ccccc3)c2O)c1.Cc1nn(-c2ccccc2)c(O)c1/C=N\c1cc(S(C)(=O)=O)ccc1O.[Cr].
What is the InChIKey of chromium;4-[[2-hydroxy-5-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]iminomethyl]-3-methyl-1-phenylpyrazol-5-ol;4-[(2-hydroxy-5-methylsulfonylphenyl)iminomethyl]-3-methyl-1-phenylpyrazol-5-ol?
The InChIKey is SDDQNYUGJNKHGV-HYTLMQPQSA-N. The full InChI is InChI=1S/C19H19N3O3S.C18H17N3O4S.Cr/c1-13-16(19(24)22(21-13)14-7-5-4-6-8-14)12-20-17-11-15(26(2,3)25)9-10-18(17)23;1-12-15(18(23)21(20-12)13-6-4-3-5-7-13)11-19-16-10-14(26(2,24)25)8-9-17(16)22;/h4-12,23-24H,2H2,1,3H3;3-11,22-23H,1-2H3;/b20-12-;19-11-;.
What are the key properties of chromium;4-[[2-hydroxy-5-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]iminomethyl]-3-methyl-1-phenylpyrazol-5-ol;4-[(2-hydroxy-5-methylsulfonylphenyl)iminomethyl]-3-methyl-1-phenylpyrazol-5-ol?
chromium;4-[[2-hydroxy-5-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]iminomethyl]-3-methyl-1-phenylpyrazol-5-ol;4-[(2-hydroxy-5-methylsulfonylphenyl)iminomethyl]-3-methyl-1-phenylpyrazol-5-ol has a molecular weight of 792.86 g/mol, XLogP of 5.79, 8 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for chromium;4-[[2-hydroxy-5-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]iminomethyl]-3-methyl-1-phenylpyrazol-5-ol;4-[(2-hydroxy-5-methylsulfonylphenyl)iminomethyl]-3-methyl-1-phenylpyrazol-5-ol is sourced from PubChem (CID 170524799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).