[2-(2-fluorophenyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-[2-(3-fluorophenyl)-5-methylsulfonylphenyl]methanone

C25H19F2N3O3S — CID 118479452

IUPAC[2-(2-fluorophenyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-[2-(3-fluorophenyl)-5-methylsulfonylphenyl]methanone
SMILESCS(=O)(=O)c1ccc(-c2cccc(F)c2)c(C(=O)N2Cc3cn(-c4ccccc4F)nc3C2)c1
InChIInChI=1S/C25H19F2N3O3S/c1-34(32,33)19-9-10-20(16-5-4-6-18(26)11-16)21(12-19)25(31)29-13-17-14-30(28-23(17)15-29)24-8-3-2-7-22(24)27/h2-12,14H,13,15H2,1H3
InChIKeyLEGQBTRPHGOTTN-UHFFFAOYSA-N
MW479.51 g/mol
LogP4.38
Rot. Bonds4

About [2-(2-fluorophenyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-[2-(3-fluorophenyl)-5-methylsulfonylphenyl]methanone

[2-(2-fluorophenyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-[2-(3-fluorophenyl)-5-methylsulfonylphenyl]methanone (PubChem CID 118479452) has the molecular formula C25H19F2N3O3S and a molecular weight of 479.51 g/mol. Its IUPAC name is [2-(2-fluorophenyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-[2-(3-fluorophenyl)-5-methylsulfonylphenyl]methanone.

Molecular Properties

Compound Name[2-(2-fluorophenyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-[2-(3-fluorophenyl)-5-methylsulfonylphenyl]methanone
PubChem CID118479452
Molecular FormulaC25H19F2N3O3S
Molecular Weight479.51 g/mol
Exact Mass479.11
IUPAC Name[2-(2-fluorophenyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-[2-(3-fluorophenyl)-5-methylsulfonylphenyl]methanone
SMILESCS(=O)(=O)c1ccc(-c2cccc(F)c2)c(C(=O)N2Cc3cn(-c4ccccc4F)nc3C2)c1
InChIInChI=1S/C25H19F2N3O3S/c1-34(32,33)19-9-10-20(16-5-4-6-18(26)11-16)21(12-19)25(31)29-13-17-14-30(28-23(17)15-29)24-8-3-2-7-22(24)27/h2-12,14H,13,15H2,1H3
InChIKeyLEGQBTRPHGOTTN-UHFFFAOYSA-N
XLogP4.38
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.51
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-fluorophenyl)-N-[(4-methylsulfonylphenyl)methyl]indazole-4-carboxamide
CID 44468570
1-(4-fluorophenyl)-N-[(3-methylsulfonylphenyl)methyl]indazole-4-carboxamide
CID 44468708
[2-(4,4-Difluoropiperidin-1-yl)-5-methylsulfonylphenyl]-[2-(2-methylpyridin-4-yl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]methanone
CID 118478933
[2-(4,4-Difluoropiperidin-1-yl)-5-methylsulfonylphenyl]-[2-(5-fluoropyridin-3-yl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]methanone
CID 118479006
[2-(3-Fluorophenyl)-5-methylsulfonylphenyl]-[2-(5-fluoro-3-pyridinyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]methanone
CID 118479034
[2-(3-Fluorophenyl)-5-methylsulfonylphenyl]-[2-(2-methyl-4-pyridinyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]methanone
CID 118479229
[2-(4,4-Difluoropiperidin-1-yl)-5-methylsulfonylphenyl]-[2-(2-fluorophenyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]methanone
CID 118479293
[1-(4-Fluorophenyl)-5-[4-[(4-methylsulfonylphenyl)methyl]cyclohexyl]pyrazol-4-yl]-[3-(4-fluorophenyl)pyrrolidin-1-yl]methanone
CID 171357952
2,6-difluoro-N-[2-[1-(4-methylsulfonylphenyl)pyrazol-4-yl]phenyl]benzamide
CID 4291657
(E)-3-[1-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)pyrazol-4-yl]-1-(4-methylsulfonylphenyl)prop-2-en-1-one
CID 170987795
N-[(E)-[1-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)pyrazol-4-yl]methylideneamino]benzamide
CID 171043044
1-(4-fluorophenyl)-N,N-dimethyl-5-(4-methylsulfonylphenyl)pyrazole-3-carboxamide
CID 10500412

Frequently Asked Questions

What is the IUPAC name of [2-(2-fluorophenyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-[2-(3-fluorophenyl)-5-methylsulfonylphenyl]methanone?
The IUPAC name of [2-(2-fluorophenyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-[2-(3-fluorophenyl)-5-methylsulfonylphenyl]methanone (CID 118479452) is [2-(2-fluorophenyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-[2-(3-fluorophenyl)-5-methylsulfonylphenyl]methanone.
What is the SMILES notation for [2-(2-fluorophenyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-[2-(3-fluorophenyl)-5-methylsulfonylphenyl]methanone?
The canonical SMILES for [2-(2-fluorophenyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-[2-(3-fluorophenyl)-5-methylsulfonylphenyl]methanone is CS(=O)(=O)c1ccc(-c2cccc(F)c2)c(C(=O)N2Cc3cn(-c4ccccc4F)nc3C2)c1.
What is the InChIKey of [2-(2-fluorophenyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-[2-(3-fluorophenyl)-5-methylsulfonylphenyl]methanone?
The InChIKey is LEGQBTRPHGOTTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F2N3O3S/c1-34(32,33)19-9-10-20(16-5-4-6-18(26)11-16)21(12-19)25(31)29-13-17-14-30(28-23(17)15-29)24-8-3-2-7-22(24)27/h2-12,14H,13,15H2,1H3.
What are the key properties of [2-(2-fluorophenyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-[2-(3-fluorophenyl)-5-methylsulfonylphenyl]methanone?
[2-(2-fluorophenyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-[2-(3-fluorophenyl)-5-methylsulfonylphenyl]methanone has a molecular weight of 479.51 g/mol, XLogP of 4.38, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-fluorophenyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-[2-(3-fluorophenyl)-5-methylsulfonylphenyl]methanone is sourced from PubChem (CID 118479452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).