2-cyclopentylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylic acid

C11H15N3O4S — CID 67379803

IUPAC2-cyclopentylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylic acid
SMILESO=C(O)N1Cc2cn(S(=O)(=O)C3CCCC3)nc2C1
InChIInChI=1S/C11H15N3O4S/c15-11(16)13-5-8-6-14(12-10(8)7-13)19(17,18)9-3-1-2-4-9/h6,9H,1-5,7H2,(H,15,16)
InChIKeyKFTWUYISHWIZBM-UHFFFAOYSA-N
MW285.33 g/mol
LogP1.00
Rot. Bonds2

About 2-cyclopentylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylic acid

2-cyclopentylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylic acid (PubChem CID 67379803) has the molecular formula C11H15N3O4S and a molecular weight of 285.33 g/mol. Its IUPAC name is 2-cyclopentylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name2-cyclopentylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylic acid
PubChem CID67379803
Molecular FormulaC11H15N3O4S
Molecular Weight285.33 g/mol
Exact Mass285.08
IUPAC Name2-cyclopentylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylic acid
SMILESO=C(O)N1Cc2cn(S(=O)(=O)C3CCCC3)nc2C1
InChIInChI=1S/C11H15N3O4S/c15-11(16)13-5-8-6-14(12-10(8)7-13)19(17,18)9-3-1-2-4-9/h6,9H,1-5,7H2,(H,15,16)
InChIKeyKFTWUYISHWIZBM-UHFFFAOYSA-N
XLogP1.00
TPSA92.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylic acid?
The IUPAC name of 2-cyclopentylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylic acid (CID 67379803) is 2-cyclopentylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylic acid.
What is the SMILES notation for 2-cyclopentylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylic acid?
The canonical SMILES for 2-cyclopentylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylic acid is O=C(O)N1Cc2cn(S(=O)(=O)C3CCCC3)nc2C1.
What is the InChIKey of 2-cyclopentylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylic acid?
The InChIKey is KFTWUYISHWIZBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4S/c15-11(16)13-5-8-6-14(12-10(8)7-13)19(17,18)9-3-1-2-4-9/h6,9H,1-5,7H2,(H,15,16).
What are the key properties of 2-cyclopentylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylic acid?
2-cyclopentylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylic acid has a molecular weight of 285.33 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylic acid is sourced from PubChem (CID 67379803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).