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

C15H10FN3OS — CID 20854737

IUPAC4-(3-fluorophenyl)-3-thiophen-2-yl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one
SMILESO=C1NC(c2cccc(F)c2)c2c1n[nH]c2-c1cccs1
InChIInChI=1S/C15H10FN3OS/c16-9-4-1-3-8(7-9)12-11-13(10-5-2-6-21-10)18-19-14(11)15(20)17-12/h1-7,12H,(H,17,20)(H,18,19)
InChIKeyJEQBUCVWQHQTDL-UHFFFAOYSA-N
MW299.33 g/mol
LogP3.11
Rot. Bonds2

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

4-(3-fluorophenyl)-3-thiophen-2-yl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one (PubChem CID 20854737) has the molecular formula C15H10FN3OS and a molecular weight of 299.33 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-3-thiophen-2-yl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one.

Molecular Properties

Compound Name4-(3-fluorophenyl)-3-thiophen-2-yl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one
PubChem CID20854737
Molecular FormulaC15H10FN3OS
Molecular Weight299.33 g/mol
Exact Mass299.05
IUPAC Name4-(3-fluorophenyl)-3-thiophen-2-yl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one
SMILESO=C1NC(c2cccc(F)c2)c2c1n[nH]c2-c1cccs1
InChIInChI=1S/C15H10FN3OS/c16-9-4-1-3-8(7-9)12-11-13(10-5-2-6-21-10)18-19-14(11)15(20)17-12/h1-7,12H,(H,17,20)(H,18,19)
InChIKeyJEQBUCVWQHQTDL-UHFFFAOYSA-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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Related Compounds

N-benzyl-3-phenyl-1H-thieno[2,3-c]pyrazole-5-carboxamide
CID 11359538
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CID 44406074
4-(4-isopropylphenyl)-3-thien-2-yl-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one
CID 15990955
4-(4-Tert-butylphenyl)-3-(thiophen-2-YL)-1H,4H,5H,6H-pyrrolo[3,4-C]pyrazol-6-one
CID 15990957
N-[2-[6-oxo-3-propan-2-yl-5-(4-thiophen-3-ylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-4-yl]phenyl]acetamide
CID 58365242
N-methyl-2-[6-oxo-3-propan-2-yl-5-(4-thiophen-3-ylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-4-yl]benzamide
CID 58365249
4-(2-Aminophenyl)-3-propan-2-yl-5-(4-thiophen-3-ylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 58365457
4-[2-[(Dimethylamino)methyl]phenyl]-3-propan-2-yl-5-(4-thiophen-3-ylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 58365815
4-(2-fluorophenyl)-3-methyl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one
CID 5309210
4-(4-methylphenyl)-3-thien-2-yl-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one
CID 15990951
N-phenethyl-3-phenyl-1H-thieno[2,3-c]pyrazole-5-carboxamide
CID 44406013
N-[(4-fluorophenyl)methyl]-5-(4-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide
CID 49790776

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)-3-thiophen-2-yl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one?
The IUPAC name of 4-(3-fluorophenyl)-3-thiophen-2-yl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one (CID 20854737) is 4-(3-fluorophenyl)-3-thiophen-2-yl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one.
What is the SMILES notation for 4-(3-fluorophenyl)-3-thiophen-2-yl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one?
The canonical SMILES for 4-(3-fluorophenyl)-3-thiophen-2-yl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one is O=C1NC(c2cccc(F)c2)c2c1n[nH]c2-c1cccs1.
What is the InChIKey of 4-(3-fluorophenyl)-3-thiophen-2-yl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one?
The InChIKey is JEQBUCVWQHQTDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FN3OS/c16-9-4-1-3-8(7-9)12-11-13(10-5-2-6-21-10)18-19-14(11)15(20)17-12/h1-7,12H,(H,17,20)(H,18,19).
What are the key properties of 4-(3-fluorophenyl)-3-thiophen-2-yl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one?
4-(3-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 4-(3-fluorophenyl)-3-thiophen-2-yl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one is sourced from PubChem (CID 20854737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).