1'-acetyl-3'-(2,5-difluorophenyl)spiro[1H-indole-3,5'-4H-pyrazole]-2-one

C18H13F2N3O2 — CID 71011325

IUPAC1'-acetyl-3'-(2,5-difluorophenyl)spiro[1H-indole-3,5'-4H-pyrazole]-2-one
SMILESCC(=O)N1N=C(c2cc(F)ccc2F)CC12C(=O)Nc1ccccc12
InChIInChI=1S/C18H13F2N3O2/c1-10(24)23-18(13-4-2-3-5-15(13)21-17(18)25)9-16(22-23)12-8-11(19)6-7-14(12)20/h2-8H,9H2,1H3,(H,21,25)
InChIKeyZKZPJOVXJVBBRT-UHFFFAOYSA-N
MW341.32 g/mol
LogP2.77
Rot. Bonds1

About 1'-acetyl-3'-(2,5-difluorophenyl)spiro[1H-indole-3,5'-4H-pyrazole]-2-one

1'-acetyl-3'-(2,5-difluorophenyl)spiro[1H-indole-3,5'-4H-pyrazole]-2-one (PubChem CID 71011325) has the molecular formula C18H13F2N3O2 and a molecular weight of 341.32 g/mol. Its IUPAC name is 1'-acetyl-3'-(2,5-difluorophenyl)spiro[1H-indole-3,5'-4H-pyrazole]-2-one.

Molecular Properties

Compound Name1'-acetyl-3'-(2,5-difluorophenyl)spiro[1H-indole-3,5'-4H-pyrazole]-2-one
PubChem CID71011325
Molecular FormulaC18H13F2N3O2
Molecular Weight341.32 g/mol
Exact Mass341.10
IUPAC Name1'-acetyl-3'-(2,5-difluorophenyl)spiro[1H-indole-3,5'-4H-pyrazole]-2-one
SMILESCC(=O)N1N=C(c2cc(F)ccc2F)CC12C(=O)Nc1ccccc12
InChIInChI=1S/C18H13F2N3O2/c1-10(24)23-18(13-4-2-3-5-15(13)21-17(18)25)9-16(22-23)12-8-11(19)6-7-14(12)20/h2-8H,9H2,1H3,(H,21,25)
InChIKeyZKZPJOVXJVBBRT-UHFFFAOYSA-N
XLogP2.77
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.32
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1'-acetyl-3'-(2,5-difluorophenyl)spiro[1H-indole-3,5'-4H-pyrazole]-2-one?
The IUPAC name of 1'-acetyl-3'-(2,5-difluorophenyl)spiro[1H-indole-3,5'-4H-pyrazole]-2-one (CID 71011325) is 1'-acetyl-3'-(2,5-difluorophenyl)spiro[1H-indole-3,5'-4H-pyrazole]-2-one.
What is the SMILES notation for 1'-acetyl-3'-(2,5-difluorophenyl)spiro[1H-indole-3,5'-4H-pyrazole]-2-one?
The canonical SMILES for 1'-acetyl-3'-(2,5-difluorophenyl)spiro[1H-indole-3,5'-4H-pyrazole]-2-one is CC(=O)N1N=C(c2cc(F)ccc2F)CC12C(=O)Nc1ccccc12.
What is the InChIKey of 1'-acetyl-3'-(2,5-difluorophenyl)spiro[1H-indole-3,5'-4H-pyrazole]-2-one?
The InChIKey is ZKZPJOVXJVBBRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F2N3O2/c1-10(24)23-18(13-4-2-3-5-15(13)21-17(18)25)9-16(22-23)12-8-11(19)6-7-14(12)20/h2-8H,9H2,1H3,(H,21,25).
What are the key properties of 1'-acetyl-3'-(2,5-difluorophenyl)spiro[1H-indole-3,5'-4H-pyrazole]-2-one?
1'-acetyl-3'-(2,5-difluorophenyl)spiro[1H-indole-3,5'-4H-pyrazole]-2-one has a molecular weight of 341.32 g/mol, XLogP of 2.77, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-acetyl-3'-(2,5-difluorophenyl)spiro[1H-indole-3,5'-4H-pyrazole]-2-one is sourced from PubChem (CID 71011325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).