N-cyclopropyl-N'-[(Z)-[3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methylideneamino]oxamide

C24H25N5O2 — CID 9352759

IUPACN-cyclopropyl-N'-[(Z)-[3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methylideneamino]oxamide
SMILESCc1ccc(Cn2cc(/C=N\NC(=O)C(=O)NC3CC3)c(-c3ccc(C)cc3)n2)cc1
InChIInChI=1S/C24H25N5O2/c1-16-3-7-18(8-4-16)14-29-15-20(22(28-29)19-9-5-17(2)6-10-19)13-25-27-24(31)23(30)26-21-11-12-21/h3-10,13,15,21H,11-12,14H2,1-2H3,(H,26,30)(H,27,31)/b25-13-
InChIKeyZLQPFAULFLWAFD-MXAYSNPKSA-N
MW415.50 g/mol
LogP2.94
Rot. Bonds6

About N-cyclopropyl-N'-[(Z)-[3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methylideneamino]oxamide

N-cyclopropyl-N'-[(Z)-[3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methylideneamino]oxamide (PubChem CID 9352759) has the molecular formula C24H25N5O2 and a molecular weight of 415.50 g/mol. Its IUPAC name is N-cyclopropyl-N'-[(Z)-[3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methylideneamino]oxamide.

Molecular Properties

Compound NameN-cyclopropyl-N'-[(Z)-[3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methylideneamino]oxamide
PubChem CID9352759
Molecular FormulaC24H25N5O2
Molecular Weight415.50 g/mol
Exact Mass415.20
IUPAC NameN-cyclopropyl-N'-[(Z)-[3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methylideneamino]oxamide
SMILESCc1ccc(Cn2cc(/C=N\NC(=O)C(=O)NC3CC3)c(-c3ccc(C)cc3)n2)cc1
InChIInChI=1S/C24H25N5O2/c1-16-3-7-18(8-4-16)14-29-15-20(22(28-29)19-9-5-17(2)6-10-19)13-25-27-24(31)23(30)26-21-11-12-21/h3-10,13,15,21H,11-12,14H2,1-2H3,(H,26,30)(H,27,31)/b25-13-
InChIKeyZLQPFAULFLWAFD-MXAYSNPKSA-N
XLogP2.94
TPSA88.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-cyclopropyl-N'-[(Z)-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]oxamide
CID 9352555
N'-[(Z)-[1-benzyl-3-(4-methylphenyl)pyrazol-4-yl]methylideneamino]-N-propan-2-yloxamide
CID 9351858
N'-[(Z)-[1-(2-cyanoethyl)-3-phenylpyrazol-4-yl]methylideneamino]-N-cyclopropyloxamide
CID 9352466
N-cyclopropyl-N'-[(Z)-[1-(2-methylphenyl)-3-phenylpyrazol-4-yl]methylideneamino]oxamide
CID 9352748
N-[(Z)-[1-benzyl-3-(4-chlorophenyl)pyrazol-4-yl]methylideneamino]acetamide
CID 9143206
N-[(1-benzyl-3-phenylpyrazol-4-yl)methylideneamino]-5-methylthiophene-2-carboxamide
CID 4504151
N-[(Z)-[1-benzyl-3-(4-chlorophenyl)pyrazol-4-yl]methylideneamino]-2-methylfuran-3-carboxamide
CID 9147632
N-[(1-benzyl-3-phenylpyrazol-4-yl)methylideneamino]pyridine-4-carboxamide
CID 4504148
N-[(Z)-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]-4-methylbenzamide
CID 9175314
N-[(Z)-[1-benzyl-3-(3-methylphenyl)pyrazol-4-yl]methylideneamino]furan-2-carboxamide
CID 9175450
N-[(Z)-[1-benzyl-3-(4-methoxyphenyl)pyrazol-4-yl]methylideneamino]furan-2-carboxamide
CID 9231529
2-[2-[1-benzyl-3-(4-chlorophenyl)pyrazole-4-carbonyl]hydrazinyl]-N-cyclopropyl-2-oxoacetamide
CID 134008263

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N'-[(Z)-[3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methylideneamino]oxamide?
The IUPAC name of N-cyclopropyl-N'-[(Z)-[3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methylideneamino]oxamide (CID 9352759) is N-cyclopropyl-N'-[(Z)-[3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methylideneamino]oxamide.
What is the SMILES notation for N-cyclopropyl-N'-[(Z)-[3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methylideneamino]oxamide?
The canonical SMILES for N-cyclopropyl-N'-[(Z)-[3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methylideneamino]oxamide is Cc1ccc(Cn2cc(/C=N\NC(=O)C(=O)NC3CC3)c(-c3ccc(C)cc3)n2)cc1.
What is the InChIKey of N-cyclopropyl-N'-[(Z)-[3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methylideneamino]oxamide?
The InChIKey is ZLQPFAULFLWAFD-MXAYSNPKSA-N. The full InChI is InChI=1S/C24H25N5O2/c1-16-3-7-18(8-4-16)14-29-15-20(22(28-29)19-9-5-17(2)6-10-19)13-25-27-24(31)23(30)26-21-11-12-21/h3-10,13,15,21H,11-12,14H2,1-2H3,(H,26,30)(H,27,31)/b25-13-.
What are the key properties of N-cyclopropyl-N'-[(Z)-[3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methylideneamino]oxamide?
N-cyclopropyl-N'-[(Z)-[3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methylideneamino]oxamide has a molecular weight of 415.50 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N'-[(Z)-[3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methylideneamino]oxamide is sourced from PubChem (CID 9352759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).