4-(4-hydroxyphenyl)-3-thiophen-2-yl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one

C15H11N3O2S — CID 46253338

IUPAC4-(4-hydroxyphenyl)-3-thiophen-2-yl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one
SMILESO=C1NC(c2ccc(O)cc2)c2c1n[nH]c2-c1cccs1
InChIInChI=1S/C15H11N3O2S/c19-9-5-3-8(4-6-9)12-11-13(10-2-1-7-21-10)17-18-14(11)15(20)16-12/h1-7,12,19H,(H,16,20)(H,17,18)
InChIKeyKXXKFWIMFKFQPJ-UHFFFAOYSA-N
MW297.34 g/mol
LogP2.68
Rot. Bonds2

About 4-(4-hydroxyphenyl)-3-thiophen-2-yl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one

4-(4-hydroxyphenyl)-3-thiophen-2-yl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one (PubChem CID 46253338) has the molecular formula C15H11N3O2S and a molecular weight of 297.34 g/mol. Its IUPAC name is 4-(4-hydroxyphenyl)-3-thiophen-2-yl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one.

Molecular Properties

Compound Name4-(4-hydroxyphenyl)-3-thiophen-2-yl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one
PubChem CID46253338
Molecular FormulaC15H11N3O2S
Molecular Weight297.34 g/mol
Exact Mass297.06
IUPAC Name4-(4-hydroxyphenyl)-3-thiophen-2-yl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one
SMILESO=C1NC(c2ccc(O)cc2)c2c1n[nH]c2-c1cccs1
InChIInChI=1S/C15H11N3O2S/c19-9-5-3-8(4-6-9)12-11-13(10-2-1-7-21-10)17-18-14(11)15(20)16-12/h1-7,12,19H,(H,16,20)(H,17,18)
InChIKeyKXXKFWIMFKFQPJ-UHFFFAOYSA-N
XLogP2.68
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxyphenyl)-3-thiophen-2-yl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one?
The IUPAC name of 4-(4-hydroxyphenyl)-3-thiophen-2-yl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one (CID 46253338) is 4-(4-hydroxyphenyl)-3-thiophen-2-yl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one.
What is the SMILES notation for 4-(4-hydroxyphenyl)-3-thiophen-2-yl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one?
The canonical SMILES for 4-(4-hydroxyphenyl)-3-thiophen-2-yl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one is O=C1NC(c2ccc(O)cc2)c2c1n[nH]c2-c1cccs1.
What is the InChIKey of 4-(4-hydroxyphenyl)-3-thiophen-2-yl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one?
The InChIKey is KXXKFWIMFKFQPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O2S/c19-9-5-3-8(4-6-9)12-11-13(10-2-1-7-21-10)17-18-14(11)15(20)16-12/h1-7,12,19H,(H,16,20)(H,17,18).
What are the key properties of 4-(4-hydroxyphenyl)-3-thiophen-2-yl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one?
4-(4-hydroxyphenyl)-3-thiophen-2-yl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one has a molecular weight of 297.34 g/mol, XLogP of 2.68, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxyphenyl)-3-thiophen-2-yl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one is sourced from PubChem (CID 46253338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).