[2-(2-methylpropyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-(5-methylsulfonyl-2-propan-2-yloxyphenyl)methanone

C20H27N3O4S — CID 118479433

IUPAC[2-(2-methylpropyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-(5-methylsulfonyl-2-propan-2-yloxyphenyl)methanone
SMILESCC(C)Cn1cc2c(n1)CN(C(=O)c1cc(S(C)(=O)=O)ccc1OC(C)C)C2
InChIInChI=1S/C20H27N3O4S/c1-13(2)9-23-11-15-10-22(12-18(15)21-23)20(24)17-8-16(28(5,25)26)6-7-19(17)27-14(3)4/h6-8,11,13-14H,9-10,12H2,1-5H3
InChIKeyLAEMESTVTAKAJE-UHFFFAOYSA-N
MW405.52 g/mol
LogP2.89
Rot. Bonds6

About [2-(2-methylpropyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-(5-methylsulfonyl-2-propan-2-yloxyphenyl)methanone

[2-(2-methylpropyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-(5-methylsulfonyl-2-propan-2-yloxyphenyl)methanone (PubChem CID 118479433) has the molecular formula C20H27N3O4S and a molecular weight of 405.52 g/mol. Its IUPAC name is [2-(2-methylpropyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-(5-methylsulfonyl-2-propan-2-yloxyphenyl)methanone.

Molecular Properties

Compound Name[2-(2-methylpropyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-(5-methylsulfonyl-2-propan-2-yloxyphenyl)methanone
PubChem CID118479433
Molecular FormulaC20H27N3O4S
Molecular Weight405.52 g/mol
Exact Mass405.17
IUPAC Name[2-(2-methylpropyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-(5-methylsulfonyl-2-propan-2-yloxyphenyl)methanone
SMILESCC(C)Cn1cc2c(n1)CN(C(=O)c1cc(S(C)(=O)=O)ccc1OC(C)C)C2
InChIInChI=1S/C20H27N3O4S/c1-13(2)9-23-11-15-10-22(12-18(15)21-23)20(24)17-8-16(28(5,25)26)6-7-19(17)27-14(3)4/h6-8,11,13-14H,9-10,12H2,1-5H3
InChIKeyLAEMESTVTAKAJE-UHFFFAOYSA-N
XLogP2.89
TPSA81.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [2-(2-methylpropyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-(5-methylsulfonyl-2-propan-2-yloxyphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-(2-methylpropyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-(5-methylsulfonyl-2-propan-2-yloxyphenyl)methanone?
The IUPAC name of [2-(2-methylpropyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-(5-methylsulfonyl-2-propan-2-yloxyphenyl)methanone (CID 118479433) is [2-(2-methylpropyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-(5-methylsulfonyl-2-propan-2-yloxyphenyl)methanone.
What is the SMILES notation for [2-(2-methylpropyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-(5-methylsulfonyl-2-propan-2-yloxyphenyl)methanone?
The canonical SMILES for [2-(2-methylpropyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-(5-methylsulfonyl-2-propan-2-yloxyphenyl)methanone is CC(C)Cn1cc2c(n1)CN(C(=O)c1cc(S(C)(=O)=O)ccc1OC(C)C)C2.
What is the InChIKey of [2-(2-methylpropyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-(5-methylsulfonyl-2-propan-2-yloxyphenyl)methanone?
The InChIKey is LAEMESTVTAKAJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O4S/c1-13(2)9-23-11-15-10-22(12-18(15)21-23)20(24)17-8-16(28(5,25)26)6-7-19(17)27-14(3)4/h6-8,11,13-14H,9-10,12H2,1-5H3.
What are the key properties of [2-(2-methylpropyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-(5-methylsulfonyl-2-propan-2-yloxyphenyl)methanone?
[2-(2-methylpropyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-(5-methylsulfonyl-2-propan-2-yloxyphenyl)methanone has a molecular weight of 405.52 g/mol, XLogP of 2.89, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylpropyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-(5-methylsulfonyl-2-propan-2-yloxyphenyl)methanone is sourced from PubChem (CID 118479433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).