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

C24H24FN3O4S — CID 118479339

IUPAC[2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]-[2-(2-fluoro-5-methylphenyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]methanone
SMILESCc1ccc(F)c(-n2cc3c(n2)CN(C(=O)c2cc(S(C)(=O)=O)ccc2OCC2CC2)C3)c1
InChIInChI=1S/C24H24FN3O4S/c1-15-3-7-20(25)22(9-15)28-12-17-11-27(13-21(17)26-28)24(29)19-10-18(33(2,30)31)6-8-23(19)32-14-16-4-5-16/h3,6-10,12,16H,4-5,11,13-14H2,1-2H3
InChIKeyJPPHLIJEODKIIG-UHFFFAOYSA-N
MW469.54 g/mol
LogP3.67
Rot. Bonds6

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

[2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]-[2-(2-fluoro-5-methylphenyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]methanone (PubChem CID 118479339) has the molecular formula C24H24FN3O4S and a molecular weight of 469.54 g/mol. Its IUPAC name is [2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]-[2-(2-fluoro-5-methylphenyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]methanone.

Molecular Properties

Compound Name[2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]-[2-(2-fluoro-5-methylphenyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]methanone
PubChem CID118479339
Molecular FormulaC24H24FN3O4S
Molecular Weight469.54 g/mol
Exact Mass469.15
IUPAC Name[2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]-[2-(2-fluoro-5-methylphenyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]methanone
SMILESCc1ccc(F)c(-n2cc3c(n2)CN(C(=O)c2cc(S(C)(=O)=O)ccc2OCC2CC2)C3)c1
InChIInChI=1S/C24H24FN3O4S/c1-15-3-7-20(25)22(9-15)28-12-17-11-27(13-21(17)26-28)24(29)19-10-18(33(2,30)31)6-8-23(19)32-14-16-4-5-16/h3,6-10,12,16H,4-5,11,13-14H2,1-2H3
InChIKeyJPPHLIJEODKIIG-UHFFFAOYSA-N
XLogP3.67
TPSA81.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.54
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethane;[2-(2-fluoro-5-methylphenyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-(5-methylsulfonyl-2-propan-2-yloxyphenyl)methanone
CID 144952183
[2-(2-fluoro-3-methylphenyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-[5-methylsulfonyl-2-(2,2,2-trifluoroethoxy)phenyl]methanone
CID 118478935
[2-(4-fluorophenyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-[5-methylsulfonyl-2-(2,2,2-trifluoroethoxy)phenyl]methanone
CID 118479024
[2-(2-fluorophenyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-(2-propan-2-yloxy-5-propan-2-ylsulfonylphenyl)methanone
CID 118479313
[2-[(3-methyloxetan-3-yl)methoxy]-5-methylsulfonylphenyl]-(2-phenyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)methanone
CID 118479441
4-(cyclopropylmethoxy)-3-[2-(2-ethyl-4-pyridinyl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carbonyl]benzonitrile
CID 118479485
4-[4-[2-(cyclopropylmethoxy)-5-methylsulfonylbenzoyl]piperazin-1-yl]-2,3-difluorobenzonitrile
CID 69291151
[2-(2-methylpropyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-(5-methylsulfonyl-2-propan-2-yloxyphenyl)methanone
CID 118479433
[2-(cyclobutylmethoxy)-5-methylsulfonylphenyl]-[4-[2-fluoro-4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 69291186
[5-ethylsulfonyl-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxyphenyl]-[2-(3-methylphenyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]methanone
CID 118479281
ethane;[2-(2-fluoro-3-methylphenyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-[5-propan-2-ylsulfonyl-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxyphenyl]methanone
CID 144952331
[5-ethylsulfonyl-2-(1,1,1-trifluoropropan-2-yloxy)phenyl]-[2-(2-methyl-4-pyridinyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]methanone
CID 123643112

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]-[2-(2-fluoro-5-methylphenyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]methanone?
The IUPAC name of [2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]-[2-(2-fluoro-5-methylphenyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]methanone (CID 118479339) is [2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]-[2-(2-fluoro-5-methylphenyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]methanone.
What is the SMILES notation for [2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]-[2-(2-fluoro-5-methylphenyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]methanone?
The canonical SMILES for [2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]-[2-(2-fluoro-5-methylphenyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]methanone is Cc1ccc(F)c(-n2cc3c(n2)CN(C(=O)c2cc(S(C)(=O)=O)ccc2OCC2CC2)C3)c1.
What is the InChIKey of [2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]-[2-(2-fluoro-5-methylphenyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]methanone?
The InChIKey is JPPHLIJEODKIIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O4S/c1-15-3-7-20(25)22(9-15)28-12-17-11-27(13-21(17)26-28)24(29)19-10-18(33(2,30)31)6-8-23(19)32-14-16-4-5-16/h3,6-10,12,16H,4-5,11,13-14H2,1-2H3.
What are the key properties of [2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]-[2-(2-fluoro-5-methylphenyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]methanone?
[2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]-[2-(2-fluoro-5-methylphenyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]methanone has a molecular weight of 469.54 g/mol, XLogP of 3.67, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]-[2-(2-fluoro-5-methylphenyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]methanone is sourced from PubChem (CID 118479339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).