2-cyclopentyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole-3-carboxylic acid

C11H15N3O2 — CID 105477534

IUPAC2-cyclopentyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole-3-carboxylic acid
SMILESO=C(O)c1c2c(nn1C1CCCC1)CNC2
InChIInChI=1S/C11H15N3O2/c15-11(16)10-8-5-12-6-9(8)13-14(10)7-3-1-2-4-7/h7,12H,1-6H2,(H,15,16)
InChIKeyWXOQLPWVGPRZTG-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.30
Rot. Bonds2

About 2-cyclopentyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole-3-carboxylic acid

2-cyclopentyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole-3-carboxylic acid (PubChem CID 105477534) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-cyclopentyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name2-cyclopentyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole-3-carboxylic acid
PubChem CID105477534
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name2-cyclopentyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole-3-carboxylic acid
SMILESO=C(O)c1c2c(nn1C1CCCC1)CNC2
InChIInChI=1S/C11H15N3O2/c15-11(16)10-8-5-12-6-9(8)13-14(10)7-3-1-2-4-7/h7,12H,1-6H2,(H,15,16)
InChIKeyWXOQLPWVGPRZTG-UHFFFAOYSA-N
XLogP1.30
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopentyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine-3-carboxylic acid
CID 105496410
2-cyclobutyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-3-amine
CID 105437712
2-cycloheptyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridin-3-amine
CID 105495335
2-(1-methylpiperidin-4-yl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole-3-carbonitrile
CID 105489962
(2-cyclobutyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridin-3-yl)methanamine
CID 105459638
1-cycloheptyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-amine
CID 105495321
2-ethyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 105448944
2-tert-butyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine-3-carboxylic acid
CID 105480661
1-cyclopentyl-3-(4-fluorophenyl)pyrazole-5-carboxylic acid
CID 82306811
1-cycloheptyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 64856291
1-cyclopentyltetrazole-5-carboxylic acid
CID 83875985
1-cyclopropyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 69193043

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole-3-carboxylic acid?
The IUPAC name of 2-cyclopentyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole-3-carboxylic acid (CID 105477534) is 2-cyclopentyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole-3-carboxylic acid.
What is the SMILES notation for 2-cyclopentyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole-3-carboxylic acid?
The canonical SMILES for 2-cyclopentyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole-3-carboxylic acid is O=C(O)c1c2c(nn1C1CCCC1)CNC2.
What is the InChIKey of 2-cyclopentyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole-3-carboxylic acid?
The InChIKey is WXOQLPWVGPRZTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c15-11(16)10-8-5-12-6-9(8)13-14(10)7-3-1-2-4-7/h7,12H,1-6H2,(H,15,16).
What are the key properties of 2-cyclopentyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole-3-carboxylic acid?
2-cyclopentyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole-3-carboxylic acid has a molecular weight of 221.26 g/mol, XLogP of 1.30, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole-3-carboxylic acid is sourced from PubChem (CID 105477534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).