N-(5-methylsulfonyl-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl)-4-phenylbenzamide

C19H18N4O3S — CID 91364377

IUPACN-(5-methylsulfonyl-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl)-4-phenylbenzamide
SMILESCS(=O)(=O)N1Cc2cnn(NC(=O)c3ccc(-c4ccccc4)cc3)c2C1
InChIInChI=1S/C19H18N4O3S/c1-27(25,26)22-12-17-11-20-23(18(17)13-22)21-19(24)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-11H,12-13H2,1H3,(H,21,24)
InChIKeyOONSTQSVEZKQPD-UHFFFAOYSA-N
MW382.45 g/mol
LogP2.21
Rot. Bonds4

About N-(5-methylsulfonyl-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl)-4-phenylbenzamide

N-(5-methylsulfonyl-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl)-4-phenylbenzamide (PubChem CID 91364377) has the molecular formula C19H18N4O3S and a molecular weight of 382.45 g/mol. Its IUPAC name is N-(5-methylsulfonyl-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl)-4-phenylbenzamide.

Molecular Properties

Compound NameN-(5-methylsulfonyl-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl)-4-phenylbenzamide
PubChem CID91364377
Molecular FormulaC19H18N4O3S
Molecular Weight382.45 g/mol
Exact Mass382.11
IUPAC NameN-(5-methylsulfonyl-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl)-4-phenylbenzamide
SMILESCS(=O)(=O)N1Cc2cnn(NC(=O)c3ccc(-c4ccccc4)cc3)c2C1
InChIInChI=1S/C19H18N4O3S/c1-27(25,26)22-12-17-11-20-23(18(17)13-22)21-19(24)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-11H,12-13H2,1H3,(H,21,24)
InChIKeyOONSTQSVEZKQPD-UHFFFAOYSA-N
XLogP2.21
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.45
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-tert-butyl-N-(5-methylsulfonyl-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl)benzamide
CID 91210276
N-[5-(benzenesulfonyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]-4-tert-butylbenzamide
CID 91160602
N-[2-(4-methylpiperazin-1-yl)sulfonylethyl]-4-phenylbenzamide
CID 110345279
N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-4-phenylbenzamide
CID 1087164
4-methylsulfonyl-N-(4-phenylphenyl)benzamide
CID 7998967
4-phenyl-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzamide
CID 90613849
N-(1,3-dioxoisoindol-2-yl)-4-phenylbenzamide
CID 2834281
N-ethylsulfonyl-4-phenylbenzamide
CID 140633529
N-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-4-phenylbenzamide
CID 167754266
N-(2,3-dihydro-1H-inden-2-yl)-4-phenylbenzamide
CID 70291620
N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-4-phenylbenzamide
CID 7658010
N-[6-(azetidin-1-ylsulfonyl)-1,3-benzothiazol-2-yl]-4-phenylbenzamide
CID 146421246

Frequently Asked Questions

What is the IUPAC name of N-(5-methylsulfonyl-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl)-4-phenylbenzamide?
The IUPAC name of N-(5-methylsulfonyl-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl)-4-phenylbenzamide (CID 91364377) is N-(5-methylsulfonyl-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl)-4-phenylbenzamide.
What is the SMILES notation for N-(5-methylsulfonyl-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl)-4-phenylbenzamide?
The canonical SMILES for N-(5-methylsulfonyl-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl)-4-phenylbenzamide is CS(=O)(=O)N1Cc2cnn(NC(=O)c3ccc(-c4ccccc4)cc3)c2C1.
What is the InChIKey of N-(5-methylsulfonyl-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl)-4-phenylbenzamide?
The InChIKey is OONSTQSVEZKQPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3S/c1-27(25,26)22-12-17-11-20-23(18(17)13-22)21-19(24)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-11H,12-13H2,1H3,(H,21,24).
What are the key properties of N-(5-methylsulfonyl-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl)-4-phenylbenzamide?
N-(5-methylsulfonyl-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl)-4-phenylbenzamide has a molecular weight of 382.45 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methylsulfonyl-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl)-4-phenylbenzamide is sourced from PubChem (CID 91364377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).