3-thiophen-2-yl-2H-indeno[1,2-c]pyrazol-4-one

C14H8N2OS — CID 4078101

IUPAC3-thiophen-2-yl-2H-indeno[1,2-c]pyrazol-4-one
SMILESO=C1c2ccccc2-c2n[nH]c(-c3cccs3)c21
InChIInChI=1S/C14H8N2OS/c17-14-9-5-2-1-4-8(9)12-11(14)13(16-15-12)10-6-3-7-18-10/h1-7H,(H,15,16)
InChIKeyDEDXYUREJUSWOW-UHFFFAOYSA-N
MW252.30 g/mol
LogP3.35
Rot. Bonds1

About 3-thiophen-2-yl-2H-indeno[1,2-c]pyrazol-4-one

3-thiophen-2-yl-2H-indeno[1,2-c]pyrazol-4-one (PubChem CID 4078101) has the molecular formula C14H8N2OS and a molecular weight of 252.30 g/mol. Its IUPAC name is 3-thiophen-2-yl-2H-indeno[1,2-c]pyrazol-4-one.

Molecular Properties

Compound Name3-thiophen-2-yl-2H-indeno[1,2-c]pyrazol-4-one
PubChem CID4078101
Molecular FormulaC14H8N2OS
Molecular Weight252.30 g/mol
Exact Mass252.04
IUPAC Name3-thiophen-2-yl-2H-indeno[1,2-c]pyrazol-4-one
SMILESO=C1c2ccccc2-c2n[nH]c(-c3cccs3)c21
InChIInChI=1S/C14H8N2OS/c17-14-9-5-2-1-4-8(9)12-11(14)13(16-15-12)10-6-3-7-18-10/h1-7H,(H,15,16)
InChIKeyDEDXYUREJUSWOW-UHFFFAOYSA-N
XLogP3.35
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-thiophen-2-yl-2H-indeno[1,2-c]pyrazol-4-one?
The IUPAC name of 3-thiophen-2-yl-2H-indeno[1,2-c]pyrazol-4-one (CID 4078101) is 3-thiophen-2-yl-2H-indeno[1,2-c]pyrazol-4-one.
What is the SMILES notation for 3-thiophen-2-yl-2H-indeno[1,2-c]pyrazol-4-one?
The canonical SMILES for 3-thiophen-2-yl-2H-indeno[1,2-c]pyrazol-4-one is O=C1c2ccccc2-c2n[nH]c(-c3cccs3)c21.
What is the InChIKey of 3-thiophen-2-yl-2H-indeno[1,2-c]pyrazol-4-one?
The InChIKey is DEDXYUREJUSWOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8N2OS/c17-14-9-5-2-1-4-8(9)12-11(14)13(16-15-12)10-6-3-7-18-10/h1-7H,(H,15,16).
What are the key properties of 3-thiophen-2-yl-2H-indeno[1,2-c]pyrazol-4-one?
3-thiophen-2-yl-2H-indeno[1,2-c]pyrazol-4-one has a molecular weight of 252.30 g/mol, XLogP of 3.35, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-thiophen-2-yl-2H-indeno[1,2-c]pyrazol-4-one is sourced from PubChem (CID 4078101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).