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

C11H15N3O2 — CID 118469457

IUPAC2-cyclopentyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylic acid
SMILESO=C(O)N1Cc2cn(C3CCCC3)nc2C1
InChIInChI=1S/C11H15N3O2/c15-11(16)13-5-8-6-14(12-10(8)7-13)9-3-1-2-4-9/h6,9H,1-5,7H2,(H,15,16)
InChIKeyLJCPJROKTZOESX-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.99
Rot. Bonds1

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

2-cyclopentyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylic acid (PubChem CID 118469457) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-cyclopentyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name2-cyclopentyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylic acid
PubChem CID118469457
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name2-cyclopentyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylic acid
SMILESO=C(O)N1Cc2cn(C3CCCC3)nc2C1
InChIInChI=1S/C11H15N3O2/c15-11(16)13-5-8-6-14(12-10(8)7-13)9-3-1-2-4-9/h6,9H,1-5,7H2,(H,15,16)
InChIKeyLJCPJROKTZOESX-UHFFFAOYSA-N
XLogP1.99
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylic acid?
The IUPAC name of 2-cyclopentyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylic acid (CID 118469457) is 2-cyclopentyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylic acid.
What is the SMILES notation for 2-cyclopentyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylic acid?
The canonical SMILES for 2-cyclopentyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylic acid is O=C(O)N1Cc2cn(C3CCCC3)nc2C1.
What is the InChIKey of 2-cyclopentyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylic acid?
The InChIKey is LJCPJROKTZOESX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c15-11(16)13-5-8-6-14(12-10(8)7-13)9-3-1-2-4-9/h6,9H,1-5,7H2,(H,15,16).
What are the key properties of 2-cyclopentyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylic acid?
2-cyclopentyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylic acid has a molecular weight of 221.26 g/mol, XLogP of 1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylic acid is sourced from PubChem (CID 118469457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).