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

C15H10FN3OS — CID 92700914

IUPAC(4R)-4-(2-fluorophenyl)-3-thiophen-2-yl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one
SMILESO=C1N[C@@H](c2ccccc2F)c2c1n[nH]c2-c1cccs1
InChIInChI=1S/C15H10FN3OS/c16-9-5-2-1-4-8(9)12-11-13(10-6-3-7-21-10)18-19-14(11)15(20)17-12/h1-7,12H,(H,17,20)(H,18,19)/t12-/m0/s1
InChIKeyZPAVHLYDXZHNOX-LBPRGKRZSA-N
MW299.33 g/mol
LogP3.11
Rot. Bonds2

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

(4R)-4-(2-fluorophenyl)-3-thiophen-2-yl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one (PubChem CID 92700914) has the molecular formula C15H10FN3OS and a molecular weight of 299.33 g/mol. Its IUPAC name is (4R)-4-(2-fluorophenyl)-3-thiophen-2-yl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one.

Molecular Properties

Compound Name(4R)-4-(2-fluorophenyl)-3-thiophen-2-yl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one
PubChem CID92700914
Molecular FormulaC15H10FN3OS
Molecular Weight299.33 g/mol
Exact Mass299.05
IUPAC Name(4R)-4-(2-fluorophenyl)-3-thiophen-2-yl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one
SMILESO=C1N[C@@H](c2ccccc2F)c2c1n[nH]c2-c1cccs1
InChIInChI=1S/C15H10FN3OS/c16-9-5-2-1-4-8(9)12-11-13(10-6-3-7-21-10)18-19-14(11)15(20)17-12/h1-7,12H,(H,17,20)(H,18,19)/t12-/m0/s1
InChIKeyZPAVHLYDXZHNOX-LBPRGKRZSA-N
XLogP3.11
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-(2-fluorophenyl)-3-thiophen-2-yl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one?
The IUPAC name of (4R)-4-(2-fluorophenyl)-3-thiophen-2-yl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one (CID 92700914) is (4R)-4-(2-fluorophenyl)-3-thiophen-2-yl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one.
What is the SMILES notation for (4R)-4-(2-fluorophenyl)-3-thiophen-2-yl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one?
The canonical SMILES for (4R)-4-(2-fluorophenyl)-3-thiophen-2-yl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one is O=C1N[C@@H](c2ccccc2F)c2c1n[nH]c2-c1cccs1.
What is the InChIKey of (4R)-4-(2-fluorophenyl)-3-thiophen-2-yl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one?
The InChIKey is ZPAVHLYDXZHNOX-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H10FN3OS/c16-9-5-2-1-4-8(9)12-11-13(10-6-3-7-21-10)18-19-14(11)15(20)17-12/h1-7,12H,(H,17,20)(H,18,19)/t12-/m0/s1.
What are the key properties of (4R)-4-(2-fluorophenyl)-3-thiophen-2-yl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one?
(4R)-4-(2-fluorophenyl)-3-thiophen-2-yl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one has a molecular weight of 299.33 g/mol, XLogP of 3.11, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(2-fluorophenyl)-3-thiophen-2-yl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one is sourced from PubChem (CID 92700914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).