(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyimino-N-[5-oxo-3-(trifluoromethyl)-6,7-dihydro-1H-pyrazolo[1,2-a]pyrazol-6-yl]acetamide

C13H13F3N6O3S — CID 139656936

About (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyimino-N-[5-oxo-3-(trifluoromethyl)-6,7-dihydro-1H-pyrazolo[1,2-a]pyrazol-6-yl]acetamide

(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyimino-N-[5-oxo-3-(trifluoromethyl)-6,7-dihydro-1H-pyrazolo[1,2-a]pyrazol-6-yl]acetamide (PubChem CID 139656936) has the molecular formula C13H13F3N6O3S and a molecular weight of 390.35 g/mol. Its IUPAC name is (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyimino-N-[5-oxo-3-(trifluoromethyl)-6,7-dihydro-1H-pyrazolo[1,2-a]pyrazol-6-yl]acetamide.

Molecular Properties

• Compound Name: (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyimino-N-[5-oxo-3-(trifluoromethyl)-6,7-dihydro-1H-pyrazolo[1,2-a]pyrazol-6-yl]acetamide
• PubChem CID: 139656936
• Molecular Formula: C13H13F3N6O3S
• Molecular Weight: 390.35 g/mol
• Exact Mass: 390.07
• IUPAC Name: (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyimino-N-[5-oxo-3-(trifluoromethyl)-6,7-dihydro-1H-pyrazolo[1,2-a]pyrazol-6-yl]acetamide
• SMILES: CO/N=C(\C(=O)NC1CN2CC=C(C(F)(F)F)N2C1=O)c1csc(N)n1
• InChI: InChI=1S/C13H13F3N6O3S/c1-25-20-9(7-5-26-12(17)19-7)10(23)18-6-4-21-3-2-8(13(14,15)16)22(21)11(6)24/h2,5-6H,3-4H2,1H3,(H2,17,19)(H,18,23)/b20-9-
• InChIKey: DOYZBCIBCVBLKM-UKWGHVSLSA-N
• XLogP: 0.08
• TPSA: 113.15 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	390.35
LogP ≤ 5	0.08
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyimino-N-[5-oxo-3-(trifluoromethyl)-6,7-dihydro-1H-pyrazolo[1,2-a]pyrazol-6-yl]acetamide?

The IUPAC name of (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyimino-N-[5-oxo-3-(trifluoromethyl)-6,7-dihydro-1H-pyrazolo[1,2-a]pyrazol-6-yl]acetamide (CID 139656936) is (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyimino-N-[5-oxo-3-(trifluoromethyl)-6,7-dihydro-1H-pyrazolo[1,2-a]pyrazol-6-yl]acetamide.

What is the SMILES notation for (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyimino-N-[5-oxo-3-(trifluoromethyl)-6,7-dihydro-1H-pyrazolo[1,2-a]pyrazol-6-yl]acetamide?

The canonical SMILES for (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyimino-N-[5-oxo-3-(trifluoromethyl)-6,7-dihydro-1H-pyrazolo[1,2-a]pyrazol-6-yl]acetamide is CO/N=C(\C(=O)NC1CN2CC=C(C(F)(F)F)N2C1=O)c1csc(N)n1.

What is the InChIKey of (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyimino-N-[5-oxo-3-(trifluoromethyl)-6,7-dihydro-1H-pyrazolo[1,2-a]pyrazol-6-yl]acetamide?

The InChIKey is DOYZBCIBCVBLKM-UKWGHVSLSA-N. The full InChI is InChI=1S/C13H13F3N6O3S/c1-25-20-9(7-5-26-12(17)19-7)10(23)18-6-4-21-3-2-8(13(14,15)16)22(21)11(6)24/h2,5-6H,3-4H2,1H3,(H2,17,19)(H,18,23)/b20-9-.

What are the key properties of (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyimino-N-[5-oxo-3-(trifluoromethyl)-6,7-dihydro-1H-pyrazolo[1,2-a]pyrazol-6-yl]acetamide?

(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyimino-N-[5-oxo-3-(trifluoromethyl)-6,7-dihydro-1H-pyrazolo[1,2-a]pyrazol-6-yl]acetamide has a molecular weight of 390.35 g/mol, XLogP of 0.08, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyimino-N-[5-oxo-3-(trifluoromethyl)-6,7-dihydro-1H-pyrazolo[1,2-a]pyrazol-6-yl]acetamide is sourced from PubChem (CID 139656936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).