3-(4-methoxyphenyl)-1H-indeno[2,1-d]pyrazol-4-one

C17H12N2O2 — CID 5092865

IUPAC3-(4-methoxyphenyl)-1H-indeno[2,1-d]pyrazol-4-one
SMILESCOc1ccc(-c2n[nH]c3c2C(=O)c2ccccc2-3)cc1
InChIInChI=1S/C17H12N2O2/c1-21-11-8-6-10(7-9-11)15-14-16(19-18-15)12-4-2-3-5-13(12)17(14)20/h2-9H,1H3,(H,18,19)
InChIKeyHAFOQYHPJYVFTI-UHFFFAOYSA-N
MW276.30 g/mol
LogP3.30
Rot. Bonds2

About 3-(4-methoxyphenyl)-1H-indeno[2,1-d]pyrazol-4-one

3-(4-methoxyphenyl)-1H-indeno[2,1-d]pyrazol-4-one (PubChem CID 5092865) has the molecular formula C17H12N2O2 and a molecular weight of 276.30 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-1H-indeno[2,1-d]pyrazol-4-one.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-1H-indeno[2,1-d]pyrazol-4-one
PubChem CID5092865
Molecular FormulaC17H12N2O2
Molecular Weight276.30 g/mol
Exact Mass276.09
IUPAC Name3-(4-methoxyphenyl)-1H-indeno[2,1-d]pyrazol-4-one
SMILESCOc1ccc(-c2n[nH]c3c2C(=O)c2ccccc2-3)cc1
InChIInChI=1S/C17H12N2O2/c1-21-11-8-6-10(7-9-11)15-14-16(19-18-15)12-4-2-3-5-13(12)17(14)20/h2-9H,1H3,(H,18,19)
InChIKeyHAFOQYHPJYVFTI-UHFFFAOYSA-N
XLogP3.30
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-1H-indeno[2,1-d]pyrazol-4-one?
The IUPAC name of 3-(4-methoxyphenyl)-1H-indeno[2,1-d]pyrazol-4-one (CID 5092865) is 3-(4-methoxyphenyl)-1H-indeno[2,1-d]pyrazol-4-one.
What is the SMILES notation for 3-(4-methoxyphenyl)-1H-indeno[2,1-d]pyrazol-4-one?
The canonical SMILES for 3-(4-methoxyphenyl)-1H-indeno[2,1-d]pyrazol-4-one is COc1ccc(-c2n[nH]c3c2C(=O)c2ccccc2-3)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-1H-indeno[2,1-d]pyrazol-4-one?
The InChIKey is HAFOQYHPJYVFTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O2/c1-21-11-8-6-10(7-9-11)15-14-16(19-18-15)12-4-2-3-5-13(12)17(14)20/h2-9H,1H3,(H,18,19).
What are the key properties of 3-(4-methoxyphenyl)-1H-indeno[2,1-d]pyrazol-4-one?
3-(4-methoxyphenyl)-1H-indeno[2,1-d]pyrazol-4-one has a molecular weight of 276.30 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-1H-indeno[2,1-d]pyrazol-4-one is sourced from PubChem (CID 5092865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).