N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-N'-[(E)-thiophen-2-ylmethylideneamino]oxamide

C18H17N5O3S — CID 6890230

IUPACN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-N'-[(E)-thiophen-2-ylmethylideneamino]oxamide
SMILESCc1c(NC(=O)C(=O)N/N=C/c2cccs2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C18H17N5O3S/c1-12-15(18(26)23(22(12)2)13-7-4-3-5-8-13)20-16(24)17(25)21-19-11-14-9-6-10-27-14/h3-11H,1-2H3,(H,20,24)(H,21,25)/b19-11+
InChIKeyXKBYWUFJSROQLN-YBFXNURJSA-N
MW383.43 g/mol
LogP1.63
Rot. Bonds4

About N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-N'-[(E)-thiophen-2-ylmethylideneamino]oxamide

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-N'-[(E)-thiophen-2-ylmethylideneamino]oxamide (PubChem CID 6890230) has the molecular formula C18H17N5O3S and a molecular weight of 383.43 g/mol. Its IUPAC name is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-N'-[(E)-thiophen-2-ylmethylideneamino]oxamide.

Molecular Properties

Compound NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-N'-[(E)-thiophen-2-ylmethylideneamino]oxamide
PubChem CID6890230
Molecular FormulaC18H17N5O3S
Molecular Weight383.43 g/mol
Exact Mass383.11
IUPAC NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-N'-[(E)-thiophen-2-ylmethylideneamino]oxamide
SMILESCc1c(NC(=O)C(=O)N/N=C/c2cccs2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C18H17N5O3S/c1-12-15(18(26)23(22(12)2)13-7-4-3-5-8-13)20-16(24)17(25)21-19-11-14-9-6-10-27-14/h3-11H,1-2H3,(H,20,24)(H,21,25)/b19-11+
InChIKeyXKBYWUFJSROQLN-YBFXNURJSA-N
XLogP1.63
TPSA97.49 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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'}

Analyze N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-N'-[(E)-thiophen-2-ylmethylideneamino]oxamide 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 N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-N'-[(E)-thiophen-2-ylmethylideneamino]oxamide?
The IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-N'-[(E)-thiophen-2-ylmethylideneamino]oxamide (CID 6890230) is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-N'-[(E)-thiophen-2-ylmethylideneamino]oxamide.
What is the SMILES notation for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-N'-[(E)-thiophen-2-ylmethylideneamino]oxamide?
The canonical SMILES for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-N'-[(E)-thiophen-2-ylmethylideneamino]oxamide is Cc1c(NC(=O)C(=O)N/N=C/c2cccs2)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-N'-[(E)-thiophen-2-ylmethylideneamino]oxamide?
The InChIKey is XKBYWUFJSROQLN-YBFXNURJSA-N. The full InChI is InChI=1S/C18H17N5O3S/c1-12-15(18(26)23(22(12)2)13-7-4-3-5-8-13)20-16(24)17(25)21-19-11-14-9-6-10-27-14/h3-11H,1-2H3,(H,20,24)(H,21,25)/b19-11+.
What are the key properties of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-N'-[(E)-thiophen-2-ylmethylideneamino]oxamide?
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-N'-[(E)-thiophen-2-ylmethylideneamino]oxamide has a molecular weight of 383.43 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-N'-[(E)-thiophen-2-ylmethylideneamino]oxamide is sourced from PubChem (CID 6890230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).