2-methoxy-N-[2-oxo-2-[(2E)-2-[(5-phenyl-1H-pyrazol-4-yl)methylidene]hydrazinyl]ethyl]benzamide

C20H19N5O3 — CID 135439730

IUPAC2-methoxy-N-[2-oxo-2-[(2E)-2-[(5-phenyl-1H-pyrazol-4-yl)methylidene]hydrazinyl]ethyl]benzamide
SMILESCOc1ccccc1C(=O)NCC(=O)N/N=C/c1cn[nH]c1-c1ccccc1
InChIInChI=1S/C20H19N5O3/c1-28-17-10-6-5-9-16(17)20(27)21-13-18(26)24-22-11-15-12-23-25-19(15)14-7-3-2-4-8-14/h2-12H,13H2,1H3,(H,21,27)(H,23,25)(H,24,26)/b22-11+
InChIKeyPBRDIQSLTADXIC-SSDVNMTOSA-N
MW377.40 g/mol
LogP1.97
Rot. Bonds7

About 2-methoxy-N-[2-oxo-2-[(2E)-2-[(5-phenyl-1H-pyrazol-4-yl)methylidene]hydrazinyl]ethyl]benzamide

2-methoxy-N-[2-oxo-2-[(2E)-2-[(5-phenyl-1H-pyrazol-4-yl)methylidene]hydrazinyl]ethyl]benzamide (PubChem CID 135439730) has the molecular formula C20H19N5O3 and a molecular weight of 377.40 g/mol. Its IUPAC name is 2-methoxy-N-[2-oxo-2-[(2E)-2-[(5-phenyl-1H-pyrazol-4-yl)methylidene]hydrazinyl]ethyl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[2-oxo-2-[(2E)-2-[(5-phenyl-1H-pyrazol-4-yl)methylidene]hydrazinyl]ethyl]benzamide
PubChem CID135439730
Molecular FormulaC20H19N5O3
Molecular Weight377.40 g/mol
Exact Mass377.15
IUPAC Name2-methoxy-N-[2-oxo-2-[(2E)-2-[(5-phenyl-1H-pyrazol-4-yl)methylidene]hydrazinyl]ethyl]benzamide
SMILESCOc1ccccc1C(=O)NCC(=O)N/N=C/c1cn[nH]c1-c1ccccc1
InChIInChI=1S/C20H19N5O3/c1-28-17-10-6-5-9-16(17)20(27)21-13-18(26)24-22-11-15-12-23-25-19(15)14-7-3-2-4-8-14/h2-12H,13H2,1H3,(H,21,27)(H,23,25)(H,24,26)/b22-11+
InChIKeyPBRDIQSLTADXIC-SSDVNMTOSA-N
XLogP1.97
TPSA108.47 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[2-oxo-2-[(2E)-2-[(5-phenyl-1H-pyrazol-4-yl)methylidene]hydrazinyl]ethyl]benzamide?
The IUPAC name of 2-methoxy-N-[2-oxo-2-[(2E)-2-[(5-phenyl-1H-pyrazol-4-yl)methylidene]hydrazinyl]ethyl]benzamide (CID 135439730) is 2-methoxy-N-[2-oxo-2-[(2E)-2-[(5-phenyl-1H-pyrazol-4-yl)methylidene]hydrazinyl]ethyl]benzamide.
What is the SMILES notation for 2-methoxy-N-[2-oxo-2-[(2E)-2-[(5-phenyl-1H-pyrazol-4-yl)methylidene]hydrazinyl]ethyl]benzamide?
The canonical SMILES for 2-methoxy-N-[2-oxo-2-[(2E)-2-[(5-phenyl-1H-pyrazol-4-yl)methylidene]hydrazinyl]ethyl]benzamide is COc1ccccc1C(=O)NCC(=O)N/N=C/c1cn[nH]c1-c1ccccc1.
What is the InChIKey of 2-methoxy-N-[2-oxo-2-[(2E)-2-[(5-phenyl-1H-pyrazol-4-yl)methylidene]hydrazinyl]ethyl]benzamide?
The InChIKey is PBRDIQSLTADXIC-SSDVNMTOSA-N. The full InChI is InChI=1S/C20H19N5O3/c1-28-17-10-6-5-9-16(17)20(27)21-13-18(26)24-22-11-15-12-23-25-19(15)14-7-3-2-4-8-14/h2-12H,13H2,1H3,(H,21,27)(H,23,25)(H,24,26)/b22-11+.
What are the key properties of 2-methoxy-N-[2-oxo-2-[(2E)-2-[(5-phenyl-1H-pyrazol-4-yl)methylidene]hydrazinyl]ethyl]benzamide?
2-methoxy-N-[2-oxo-2-[(2E)-2-[(5-phenyl-1H-pyrazol-4-yl)methylidene]hydrazinyl]ethyl]benzamide has a molecular weight of 377.40 g/mol, XLogP of 1.97, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[2-oxo-2-[(2E)-2-[(5-phenyl-1H-pyrazol-4-yl)methylidene]hydrazinyl]ethyl]benzamide is sourced from PubChem (CID 135439730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).