1H-indeno[2,1-d]pyrazol-4-one

C10H6N2O — CID 18188232

IUPAC1H-indeno[2,1-d]pyrazol-4-one
SMILESO=C1c2ccccc2-c2[nH]ncc21
InChIInChI=1S/C10H6N2O/c13-10-7-4-2-1-3-6(7)9-8(10)5-11-12-9/h1-5H,(H,11,12)
InChIKeyGHFDYLOGYDGRHI-UHFFFAOYSA-N
MW170.17 g/mol
LogP1.62
Rot. Bonds

About 1H-indeno[2,1-d]pyrazol-4-one

1H-indeno[2,1-d]pyrazol-4-one (PubChem CID 18188232) has the molecular formula C10H6N2O and a molecular weight of 170.17 g/mol. Its IUPAC name is 1H-indeno[2,1-d]pyrazol-4-one.

Molecular Properties

Compound Name1H-indeno[2,1-d]pyrazol-4-one
PubChem CID18188232
Molecular FormulaC10H6N2O
Molecular Weight170.17 g/mol
Exact Mass170.05
IUPAC Name1H-indeno[2,1-d]pyrazol-4-one
SMILESO=C1c2ccccc2-c2[nH]ncc21
InChIInChI=1S/C10H6N2O/c13-10-7-4-2-1-3-6(7)9-8(10)5-11-12-9/h1-5H,(H,11,12)
InChIKeyGHFDYLOGYDGRHI-UHFFFAOYSA-N
XLogP1.62
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1H-indeno[2,1-d]pyrazol-4-one?
The IUPAC name of 1H-indeno[2,1-d]pyrazol-4-one (CID 18188232) is 1H-indeno[2,1-d]pyrazol-4-one.
What is the SMILES notation for 1H-indeno[2,1-d]pyrazol-4-one?
The canonical SMILES for 1H-indeno[2,1-d]pyrazol-4-one is O=C1c2ccccc2-c2[nH]ncc21.
What is the InChIKey of 1H-indeno[2,1-d]pyrazol-4-one?
The InChIKey is GHFDYLOGYDGRHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N2O/c13-10-7-4-2-1-3-6(7)9-8(10)5-11-12-9/h1-5H,(H,11,12).
What are the key properties of 1H-indeno[2,1-d]pyrazol-4-one?
1H-indeno[2,1-d]pyrazol-4-one has a molecular weight of 170.17 g/mol, XLogP of 1.62, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indeno[2,1-d]pyrazol-4-one is sourced from PubChem (CID 18188232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).