N-(2-methylphenyl)-N'-[(Z)-[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methylideneamino]oxamide

C28H27N5O3 — CID 6028564

IUPACN-(2-methylphenyl)-N'-[(Z)-[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methylideneamino]oxamide
SMILESCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=N\NC(=O)C(=O)Nc2ccccc2C)cc1
InChIInChI=1S/C28H27N5O3/c1-3-17-36-24-15-13-21(14-16-24)26-22(19-33(32-26)23-10-5-4-6-11-23)18-29-31-28(35)27(34)30-25-12-8-7-9-20(25)2/h4-16,18-19H,3,17H2,1-2H3,(H,30,34)(H,31,35)/b29-18-
InChIKeyUTGRAFGEXCHKQT-MIXAMLLLSA-N
MW481.56 g/mol
LogP4.73
Rot. Bonds8

About N-(2-methylphenyl)-N'-[(Z)-[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methylideneamino]oxamide

N-(2-methylphenyl)-N'-[(Z)-[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methylideneamino]oxamide (PubChem CID 6028564) has the molecular formula C28H27N5O3 and a molecular weight of 481.56 g/mol. Its IUPAC name is N-(2-methylphenyl)-N'-[(Z)-[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methylideneamino]oxamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-N'-[(Z)-[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methylideneamino]oxamide
PubChem CID6028564
Molecular FormulaC28H27N5O3
Molecular Weight481.56 g/mol
Exact Mass481.21
IUPAC NameN-(2-methylphenyl)-N'-[(Z)-[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methylideneamino]oxamide
SMILESCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=N\NC(=O)C(=O)Nc2ccccc2C)cc1
InChIInChI=1S/C28H27N5O3/c1-3-17-36-24-15-13-21(14-16-24)26-22(19-33(32-26)23-10-5-4-6-11-23)18-29-31-28(35)27(34)30-25-12-8-7-9-20(25)2/h4-16,18-19H,3,17H2,1-2H3,(H,30,34)(H,31,35)/b29-18-
InChIKeyUTGRAFGEXCHKQT-MIXAMLLLSA-N
XLogP4.73
TPSA97.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.56
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-(cyclohexylcarbamoyl)phenyl]-N'-[[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methylideneamino]oxamide
CID 5052859
1-ethyl-3-[[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methylideneamino]thiourea
CID 4064501
3-methyl-N-[(Z)-[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methylideneamino]benzamide
CID 6249243
2-(4-ethylphenoxy)-N-[[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methylideneamino]acetamide
CID 4123323
2-(4-phenylmethoxyphenoxy)-N-[(Z)-[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methylideneamino]acetamide
CID 6309317
N-[2-[(4-methylphenyl)carbamoyl]phenyl]-N'-[[1-phenyl-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]methylideneamino]oxamide
CID 3437930
4-(2,5-dimethylpyrrol-1-yl)-N-[(Z)-[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methylideneamino]benzamide
CID 6288798
4-methyl-N-[2-oxo-2-[(2Z)-2-[[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methylidene]hydrazinyl]ethyl]benzamide
CID 6271933
4-[(4-methylphenyl)methoxy]-N-[(E)-[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methylideneamino]benzamide
CID 45055061
N-[2-oxo-2-[2-[[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methylidene]hydrazinyl]ethyl]tetradecanamide
CID 3725202
2-(3-chlorophenoxy)-N-[[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methylideneamino]acetamide
CID 4276530
N-(3-methylphenyl)-N'-[[1-phenyl-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]methylideneamino]oxamide
CID 4662365

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-N'-[(Z)-[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methylideneamino]oxamide?
The IUPAC name of N-(2-methylphenyl)-N'-[(Z)-[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methylideneamino]oxamide (CID 6028564) is N-(2-methylphenyl)-N'-[(Z)-[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methylideneamino]oxamide.
What is the SMILES notation for N-(2-methylphenyl)-N'-[(Z)-[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methylideneamino]oxamide?
The canonical SMILES for N-(2-methylphenyl)-N'-[(Z)-[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methylideneamino]oxamide is CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=N\NC(=O)C(=O)Nc2ccccc2C)cc1.
What is the InChIKey of N-(2-methylphenyl)-N'-[(Z)-[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methylideneamino]oxamide?
The InChIKey is UTGRAFGEXCHKQT-MIXAMLLLSA-N. The full InChI is InChI=1S/C28H27N5O3/c1-3-17-36-24-15-13-21(14-16-24)26-22(19-33(32-26)23-10-5-4-6-11-23)18-29-31-28(35)27(34)30-25-12-8-7-9-20(25)2/h4-16,18-19H,3,17H2,1-2H3,(H,30,34)(H,31,35)/b29-18-.
What are the key properties of N-(2-methylphenyl)-N'-[(Z)-[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methylideneamino]oxamide?
N-(2-methylphenyl)-N'-[(Z)-[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methylideneamino]oxamide has a molecular weight of 481.56 g/mol, XLogP of 4.73, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-N'-[(Z)-[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methylideneamino]oxamide is sourced from PubChem (CID 6028564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).