N-[2-methyl-5-(1-phenyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carbonyl)phenyl]methanesulfonamide

C20H20N4O3S — CID 166208726

IUPACN-[2-methyl-5-(1-phenyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carbonyl)phenyl]methanesulfonamide
SMILESCc1ccc(C(=O)N2Cc3cnn(-c4ccccc4)c3C2)cc1NS(C)(=O)=O
InChIInChI=1S/C20H20N4O3S/c1-14-8-9-15(10-18(14)22-28(2,26)27)20(25)23-12-16-11-21-24(19(16)13-23)17-6-4-3-5-7-17/h3-11,22H,12-13H2,1-2H3
InChIKeyCCWLBUUCUKWDEG-UHFFFAOYSA-N
MW396.47 g/mol
LogP2.71
Rot. Bonds4

About N-[2-methyl-5-(1-phenyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carbonyl)phenyl]methanesulfonamide

N-[2-methyl-5-(1-phenyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carbonyl)phenyl]methanesulfonamide (PubChem CID 166208726) has the molecular formula C20H20N4O3S and a molecular weight of 396.47 g/mol. Its IUPAC name is N-[2-methyl-5-(1-phenyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carbonyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-methyl-5-(1-phenyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carbonyl)phenyl]methanesulfonamide
PubChem CID166208726
Molecular FormulaC20H20N4O3S
Molecular Weight396.47 g/mol
Exact Mass396.13
IUPAC NameN-[2-methyl-5-(1-phenyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carbonyl)phenyl]methanesulfonamide
SMILESCc1ccc(C(=O)N2Cc3cnn(-c4ccccc4)c3C2)cc1NS(C)(=O)=O
InChIInChI=1S/C20H20N4O3S/c1-14-8-9-15(10-18(14)22-28(2,26)27)20(25)23-12-16-11-21-24(19(16)13-23)17-6-4-3-5-7-17/h3-11,22H,12-13H2,1-2H3
InChIKeyCCWLBUUCUKWDEG-UHFFFAOYSA-N
XLogP2.71
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-methyl-5-(1-phenyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carbonyl)phenyl]methanesulfonamide 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 N-[2-methyl-5-(1-phenyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carbonyl)phenyl]methanesulfonamide?
The IUPAC name of N-[2-methyl-5-(1-phenyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carbonyl)phenyl]methanesulfonamide (CID 166208726) is N-[2-methyl-5-(1-phenyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carbonyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[2-methyl-5-(1-phenyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carbonyl)phenyl]methanesulfonamide?
The canonical SMILES for N-[2-methyl-5-(1-phenyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carbonyl)phenyl]methanesulfonamide is Cc1ccc(C(=O)N2Cc3cnn(-c4ccccc4)c3C2)cc1NS(C)(=O)=O.
What is the InChIKey of N-[2-methyl-5-(1-phenyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carbonyl)phenyl]methanesulfonamide?
The InChIKey is CCWLBUUCUKWDEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3S/c1-14-8-9-15(10-18(14)22-28(2,26)27)20(25)23-12-16-11-21-24(19(16)13-23)17-6-4-3-5-7-17/h3-11,22H,12-13H2,1-2H3.
What are the key properties of N-[2-methyl-5-(1-phenyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carbonyl)phenyl]methanesulfonamide?
N-[2-methyl-5-(1-phenyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carbonyl)phenyl]methanesulfonamide has a molecular weight of 396.47 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-(1-phenyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carbonyl)phenyl]methanesulfonamide is sourced from PubChem (CID 166208726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).