2-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)indol-3-one

C18H13N3O2 — CID 748360

IUPAC2-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)indol-3-one
SMILESCc1[nH]n(-c2ccccc2)c(=O)c1C1=Nc2ccccc2C1=O
InChIInChI=1S/C18H13N3O2/c1-11-15(16-17(22)13-9-5-6-10-14(13)19-16)18(23)21(20-11)12-7-3-2-4-8-12/h2-10,20H,1H3
InChIKeyYUYCRTSPZSYKFZ-UHFFFAOYSA-N
MW303.32 g/mol
LogP2.79
Rot. Bonds2

About 2-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)indol-3-one

2-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)indol-3-one (PubChem CID 748360) has the molecular formula C18H13N3O2 and a molecular weight of 303.32 g/mol. Its IUPAC name is 2-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)indol-3-one.

Molecular Properties

Compound Name2-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)indol-3-one
PubChem CID748360
Molecular FormulaC18H13N3O2
Molecular Weight303.32 g/mol
Exact Mass303.10
IUPAC Name2-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)indol-3-one
SMILESCc1[nH]n(-c2ccccc2)c(=O)c1C1=Nc2ccccc2C1=O
InChIInChI=1S/C18H13N3O2/c1-11-15(16-17(22)13-9-5-6-10-14(13)19-16)18(23)21(20-11)12-7-3-2-4-8-12/h2-10,20H,1H3
InChIKeyYUYCRTSPZSYKFZ-UHFFFAOYSA-N
XLogP2.79
TPSA67.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)indol-3-one?
The IUPAC name of 2-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)indol-3-one (CID 748360) is 2-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)indol-3-one.
What is the SMILES notation for 2-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)indol-3-one?
The canonical SMILES for 2-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)indol-3-one is Cc1[nH]n(-c2ccccc2)c(=O)c1C1=Nc2ccccc2C1=O.
What is the InChIKey of 2-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)indol-3-one?
The InChIKey is YUYCRTSPZSYKFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O2/c1-11-15(16-17(22)13-9-5-6-10-14(13)19-16)18(23)21(20-11)12-7-3-2-4-8-12/h2-10,20H,1H3.
What are the key properties of 2-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)indol-3-one?
2-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)indol-3-one has a molecular weight of 303.32 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)indol-3-one is sourced from PubChem (CID 748360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).