3'-benzoyl-4'-methyl-1'-phenylspiro[3H-indene-2,5'-4H-pyrazole]-1-one

C25H20N2O2 — CID 139236870

IUPAC3'-benzoyl-4'-methyl-1'-phenylspiro[3H-indene-2,5'-4H-pyrazole]-1-one
SMILESCC1C(C(=O)c2ccccc2)=NN(c2ccccc2)C12Cc1ccccc1C2=O
InChIInChI=1S/C25H20N2O2/c1-17-22(23(28)18-10-4-2-5-11-18)26-27(20-13-6-3-7-14-20)25(17)16-19-12-8-9-15-21(19)24(25)29/h2-15,17H,16H2,1H3
InChIKeyVQMPRWBDWXOJFH-UHFFFAOYSA-N
MW380.45 g/mol
LogP4.56
Rot. Bonds3

About 3'-benzoyl-4'-methyl-1'-phenylspiro[3H-indene-2,5'-4H-pyrazole]-1-one

3'-benzoyl-4'-methyl-1'-phenylspiro[3H-indene-2,5'-4H-pyrazole]-1-one (PubChem CID 139236870) has the molecular formula C25H20N2O2 and a molecular weight of 380.45 g/mol. Its IUPAC name is 3'-benzoyl-4'-methyl-1'-phenylspiro[3H-indene-2,5'-4H-pyrazole]-1-one.

Molecular Properties

Compound Name3'-benzoyl-4'-methyl-1'-phenylspiro[3H-indene-2,5'-4H-pyrazole]-1-one
PubChem CID139236870
Molecular FormulaC25H20N2O2
Molecular Weight380.45 g/mol
Exact Mass380.15
IUPAC Name3'-benzoyl-4'-methyl-1'-phenylspiro[3H-indene-2,5'-4H-pyrazole]-1-one
SMILESCC1C(C(=O)c2ccccc2)=NN(c2ccccc2)C12Cc1ccccc1C2=O
InChIInChI=1S/C25H20N2O2/c1-17-22(23(28)18-10-4-2-5-11-18)26-27(20-13-6-3-7-14-20)25(17)16-19-12-8-9-15-21(19)24(25)29/h2-15,17H,16H2,1H3
InChIKeyVQMPRWBDWXOJFH-UHFFFAOYSA-N
XLogP4.56
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3'-benzoyl-4'-methyl-1'-phenylspiro[3H-indene-2,5'-4H-pyrazole]-1-one?
The IUPAC name of 3'-benzoyl-4'-methyl-1'-phenylspiro[3H-indene-2,5'-4H-pyrazole]-1-one (CID 139236870) is 3'-benzoyl-4'-methyl-1'-phenylspiro[3H-indene-2,5'-4H-pyrazole]-1-one.
What is the SMILES notation for 3'-benzoyl-4'-methyl-1'-phenylspiro[3H-indene-2,5'-4H-pyrazole]-1-one?
The canonical SMILES for 3'-benzoyl-4'-methyl-1'-phenylspiro[3H-indene-2,5'-4H-pyrazole]-1-one is CC1C(C(=O)c2ccccc2)=NN(c2ccccc2)C12Cc1ccccc1C2=O.
What is the InChIKey of 3'-benzoyl-4'-methyl-1'-phenylspiro[3H-indene-2,5'-4H-pyrazole]-1-one?
The InChIKey is VQMPRWBDWXOJFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N2O2/c1-17-22(23(28)18-10-4-2-5-11-18)26-27(20-13-6-3-7-14-20)25(17)16-19-12-8-9-15-21(19)24(25)29/h2-15,17H,16H2,1H3.
What are the key properties of 3'-benzoyl-4'-methyl-1'-phenylspiro[3H-indene-2,5'-4H-pyrazole]-1-one?
3'-benzoyl-4'-methyl-1'-phenylspiro[3H-indene-2,5'-4H-pyrazole]-1-one has a molecular weight of 380.45 g/mol, XLogP of 4.56, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-benzoyl-4'-methyl-1'-phenylspiro[3H-indene-2,5'-4H-pyrazole]-1-one is sourced from PubChem (CID 139236870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).