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

C22H21N5O2 — CID 9352555

IUPACN-cyclopropyl-N'-[(Z)-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]oxamide
SMILESCc1ccc(-c2nn(-c3ccccc3)cc2/C=N\NC(=O)C(=O)NC2CC2)cc1
InChIInChI=1S/C22H21N5O2/c1-15-7-9-16(10-8-15)20-17(14-27(26-20)19-5-3-2-4-6-19)13-23-25-22(29)21(28)24-18-11-12-18/h2-10,13-14,18H,11-12H2,1H3,(H,24,28)(H,25,29)/b23-13-
InChIKeyPPDNDKDCWJNCJW-QRVIBDJDSA-N
MW387.44 g/mol
LogP2.58
Rot. Bonds5

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

N-cyclopropyl-N'-[(Z)-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]oxamide (PubChem CID 9352555) has the molecular formula C22H21N5O2 and a molecular weight of 387.44 g/mol. Its IUPAC name is N-cyclopropyl-N'-[(Z)-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]oxamide.

Molecular Properties

Compound NameN-cyclopropyl-N'-[(Z)-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]oxamide
PubChem CID9352555
Molecular FormulaC22H21N5O2
Molecular Weight387.44 g/mol
Exact Mass387.17
IUPAC NameN-cyclopropyl-N'-[(Z)-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]oxamide
SMILESCc1ccc(-c2nn(-c3ccccc3)cc2/C=N\NC(=O)C(=O)NC2CC2)cc1
InChIInChI=1S/C22H21N5O2/c1-15-7-9-16(10-8-15)20-17(14-27(26-20)19-5-3-2-4-6-19)13-23-25-22(29)21(28)24-18-11-12-18/h2-10,13-14,18H,11-12H2,1H3,(H,24,28)(H,25,29)/b23-13-
InChIKeyPPDNDKDCWJNCJW-QRVIBDJDSA-N
XLogP2.58
TPSA88.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 52.58
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)-[1-(2-methylphenyl)-3-phenylpyrazol-4-yl]methylideneamino]oxamide
CID 9352748
N-cyclopropyl-N'-[(Z)-[3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methylideneamino]oxamide
CID 9352759
N-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]cyclopropanecarboxamide
CID 40646787
4-chloro-N-[(E)-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]benzamide
CID 6872953
N-[(Z)-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-2-pyrrolidin-1-ium-1-ylacetamide
CID 7270875
N-(4-bromophenyl)-N'-[(Z)-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]methylideneamino]oxamide
CID 6014809
N'-[[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]methylideneamino]-N-(3-methylphenyl)oxamide
CID 3519058
N-[[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]tridecanamide
CID 2856899
4-(2,5-dimethylpyrrol-1-yl)-N-[(Z)-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]benzamide
CID 6024301
N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-N'-[(Z)-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]oxamide
CID 6163139
N'-[(Z)-[1-(2-cyanoethyl)-3-phenylpyrazol-4-yl]methylideneamino]-N-cyclopropyloxamide
CID 9352466
N-[[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]quinoline-2-carboxamide
CID 3647905

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N'-[(Z)-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]oxamide?
The IUPAC name of N-cyclopropyl-N'-[(Z)-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]oxamide (CID 9352555) is N-cyclopropyl-N'-[(Z)-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]oxamide.
What is the SMILES notation for N-cyclopropyl-N'-[(Z)-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]oxamide?
The canonical SMILES for N-cyclopropyl-N'-[(Z)-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]oxamide is Cc1ccc(-c2nn(-c3ccccc3)cc2/C=N\NC(=O)C(=O)NC2CC2)cc1.
What is the InChIKey of N-cyclopropyl-N'-[(Z)-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]oxamide?
The InChIKey is PPDNDKDCWJNCJW-QRVIBDJDSA-N. The full InChI is InChI=1S/C22H21N5O2/c1-15-7-9-16(10-8-15)20-17(14-27(26-20)19-5-3-2-4-6-19)13-23-25-22(29)21(28)24-18-11-12-18/h2-10,13-14,18H,11-12H2,1H3,(H,24,28)(H,25,29)/b23-13-.
What are the key properties of N-cyclopropyl-N'-[(Z)-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]oxamide?
N-cyclopropyl-N'-[(Z)-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]oxamide has a molecular weight of 387.44 g/mol, XLogP of 2.58, 5 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-phenylpyrazol-4-yl]methylideneamino]oxamide is sourced from PubChem (CID 9352555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).