3-[(2-chloro-4,5-difluorobenzoyl)amino]-N-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1H-pyrazole-5-carboxamide

C20H12ClF3N6O3 — CID 24952487

About 3-[(2-chloro-4,5-difluorobenzoyl)amino]-N-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1H-pyrazole-5-carboxamide

3-[(2-chloro-4,5-difluorobenzoyl)amino]-N-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1H-pyrazole-5-carboxamide (PubChem CID 24952487) has the molecular formula C20H12ClF3N6O3 and a molecular weight of 476.80 g/mol. Its IUPAC name is 3-[(2-chloro-4,5-difluorobenzoyl)amino]-N-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

• Compound Name: 3-[(2-chloro-4,5-difluorobenzoyl)amino]-N-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1H-pyrazole-5-carboxamide
• PubChem CID: 24952487
• Molecular Formula: C20H12ClF3N6O3
• Molecular Weight: 476.80 g/mol
• Exact Mass: 476.06
• IUPAC Name: 3-[(2-chloro-4,5-difluorobenzoyl)amino]-N-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1H-pyrazole-5-carboxamide
• SMILES: O=C(NCc1nnc(-c2cccc(F)c2)o1)c1cc(NC(=O)c2cc(F)c(F)cc2Cl)n[nH]1
• InChI: InChI=1S/C20H12ClF3N6O3/c21-12-6-14(24)13(23)5-11(12)18(31)26-16-7-15(27-28-16)19(32)25-8-17-29-30-20(33-17)9-2-1-3-10(22)4-9/h1-7H,8H2,(H,25,32)(H2,26,27,28,31)
• InChIKey: OUMJUJGGAKFUAB-UHFFFAOYSA-N
• XLogP: 3.71
• TPSA: 125.80 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	476.80
LogP ≤ 5	3.71
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-4,5-difluorobenzoyl)amino]-N-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1H-pyrazole-5-carboxamide?

The IUPAC name of 3-[(2-chloro-4,5-difluorobenzoyl)amino]-N-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1H-pyrazole-5-carboxamide (CID 24952487) is 3-[(2-chloro-4,5-difluorobenzoyl)amino]-N-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1H-pyrazole-5-carboxamide.

What is the SMILES notation for 3-[(2-chloro-4,5-difluorobenzoyl)amino]-N-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1H-pyrazole-5-carboxamide?

The canonical SMILES for 3-[(2-chloro-4,5-difluorobenzoyl)amino]-N-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1H-pyrazole-5-carboxamide is O=C(NCc1nnc(-c2cccc(F)c2)o1)c1cc(NC(=O)c2cc(F)c(F)cc2Cl)n[nH]1.

What is the InChIKey of 3-[(2-chloro-4,5-difluorobenzoyl)amino]-N-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1H-pyrazole-5-carboxamide?

The InChIKey is OUMJUJGGAKFUAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12ClF3N6O3/c21-12-6-14(24)13(23)5-11(12)18(31)26-16-7-15(27-28-16)19(32)25-8-17-29-30-20(33-17)9-2-1-3-10(22)4-9/h1-7H,8H2,(H,25,32)(H2,26,27,28,31).

What are the key properties of 3-[(2-chloro-4,5-difluorobenzoyl)amino]-N-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1H-pyrazole-5-carboxamide?

3-[(2-chloro-4,5-difluorobenzoyl)amino]-N-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1H-pyrazole-5-carboxamide has a molecular weight of 476.80 g/mol, XLogP of 3.71, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(2-chloro-4,5-difluorobenzoyl)amino]-N-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 24952487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).