5'-(1-methylpyrazol-4-yl)spiro[1,3-dioxolane-2,3'-2H-indene]-1'-one

C15H14N2O3 — CID 146205456

IUPAC5'-(1-methylpyrazol-4-yl)spiro[1,3-dioxolane-2,3'-2H-indene]-1'-one
SMILESCn1cc(-c2ccc3c(c2)C2(CC3=O)OCCO2)cn1
InChIInChI=1S/C15H14N2O3/c1-17-9-11(8-16-17)10-2-3-12-13(6-10)15(7-14(12)18)19-4-5-20-15/h2-3,6,8-9H,4-5,7H2,1H3
InChIKeyNBZZNGGVNLGFBB-UHFFFAOYSA-N
MW270.29 g/mol
LogP1.87
Rot. Bonds1

About 5'-(1-methylpyrazol-4-yl)spiro[1,3-dioxolane-2,3'-2H-indene]-1'-one

5'-(1-methylpyrazol-4-yl)spiro[1,3-dioxolane-2,3'-2H-indene]-1'-one (PubChem CID 146205456) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is 5'-(1-methylpyrazol-4-yl)spiro[1,3-dioxolane-2,3'-2H-indene]-1'-one.

Molecular Properties

Compound Name5'-(1-methylpyrazol-4-yl)spiro[1,3-dioxolane-2,3'-2H-indene]-1'-one
PubChem CID146205456
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name5'-(1-methylpyrazol-4-yl)spiro[1,3-dioxolane-2,3'-2H-indene]-1'-one
SMILESCn1cc(-c2ccc3c(c2)C2(CC3=O)OCCO2)cn1
InChIInChI=1S/C15H14N2O3/c1-17-9-11(8-16-17)10-2-3-12-13(6-10)15(7-14(12)18)19-4-5-20-15/h2-3,6,8-9H,4-5,7H2,1H3
InChIKeyNBZZNGGVNLGFBB-UHFFFAOYSA-N
XLogP1.87
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1'-methyl-6-(1-methylpyrazol-4-yl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 143739831
1'-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 71599959
1-methyl-4-(4-phenylphenyl)pyrazole
CID 135064285
3-(1-methylpyrazol-4-yl)-7-azabicyclo[4.2.0]octa-1(8),2,4,6-tetraene
CID 123423735
5-methyl-3-[4-(1-methylpyrazol-4-yl)phenyl]-1,2-oxazole
CID 155277374
3,3-dimethyl-5-(1-methylpyrazol-4-yl)-1,2-dihydroindole
CID 121365287
4-(1-methylpyrazol-4-yl)benzene-1,2-diamine
CID 118693272
4-(2,2-difluoro-1,3-benzodioxol-5-yl)-1-methylpyrazole
CID 58641815
3-iodo-5-(1-methylpyrazol-4-yl)-1H-isoindole
CID 157423852
3-methyl-5-(1-methylpyrazol-4-yl)-2,1-benzoxazole
CID 23537432
3-benzyl-3-methyl-5-(1-methylpyrazol-4-yl)-1H-indol-2-one
CID 155537652
4-(4-methoxyphenyl)-1-methylpyrazole
CID 4101323

Frequently Asked Questions

What is the IUPAC name of 5'-(1-methylpyrazol-4-yl)spiro[1,3-dioxolane-2,3'-2H-indene]-1'-one?
The IUPAC name of 5'-(1-methylpyrazol-4-yl)spiro[1,3-dioxolane-2,3'-2H-indene]-1'-one (CID 146205456) is 5'-(1-methylpyrazol-4-yl)spiro[1,3-dioxolane-2,3'-2H-indene]-1'-one.
What is the SMILES notation for 5'-(1-methylpyrazol-4-yl)spiro[1,3-dioxolane-2,3'-2H-indene]-1'-one?
The canonical SMILES for 5'-(1-methylpyrazol-4-yl)spiro[1,3-dioxolane-2,3'-2H-indene]-1'-one is Cn1cc(-c2ccc3c(c2)C2(CC3=O)OCCO2)cn1.
What is the InChIKey of 5'-(1-methylpyrazol-4-yl)spiro[1,3-dioxolane-2,3'-2H-indene]-1'-one?
The InChIKey is NBZZNGGVNLGFBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c1-17-9-11(8-16-17)10-2-3-12-13(6-10)15(7-14(12)18)19-4-5-20-15/h2-3,6,8-9H,4-5,7H2,1H3.
What are the key properties of 5'-(1-methylpyrazol-4-yl)spiro[1,3-dioxolane-2,3'-2H-indene]-1'-one?
5'-(1-methylpyrazol-4-yl)spiro[1,3-dioxolane-2,3'-2H-indene]-1'-one has a molecular weight of 270.29 g/mol, XLogP of 1.87, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5'-(1-methylpyrazol-4-yl)spiro[1,3-dioxolane-2,3'-2H-indene]-1'-one is sourced from PubChem (CID 146205456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).