2-cyclopentyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine-3-carboxylic acid

C12H17N3O2 — CID 105496410

IUPAC2-cyclopentyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine-3-carboxylic acid
SMILESO=C(O)c1c2c(nn1C1CCCC1)CNCC2
InChIInChI=1S/C12H17N3O2/c16-12(17)11-9-5-6-13-7-10(9)14-15(11)8-3-1-2-4-8/h8,13H,1-7H2,(H,16,17)
InChIKeyQPFUQEYJDPEUSP-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.34
Rot. Bonds2

About 2-cyclopentyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine-3-carboxylic acid

2-cyclopentyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine-3-carboxylic acid (PubChem CID 105496410) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-cyclopentyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-cyclopentyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine-3-carboxylic acid
PubChem CID105496410
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name2-cyclopentyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine-3-carboxylic acid
SMILESO=C(O)c1c2c(nn1C1CCCC1)CNCC2
InChIInChI=1S/C12H17N3O2/c16-12(17)11-9-5-6-13-7-10(9)14-15(11)8-3-1-2-4-8/h8,13H,1-7H2,(H,16,17)
InChIKeyQPFUQEYJDPEUSP-UHFFFAOYSA-N
XLogP1.34
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopentyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole-3-carboxylic acid
CID 105477534
2-cycloheptyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridin-3-amine
CID 105495335
2-tert-butyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine-3-carboxylic acid
CID 105480661
(2-cyclobutyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridin-3-yl)methanamine
CID 105459638
1-cycloheptyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 64856291
2-cyclobutyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-3-amine
CID 105437712
1-cycloheptyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-amine
CID 105495321
2-cyclopentyl-5,6,7,8-tetrahydro-1,7-naphthyridine-4-carboxylic acid
CID 82384369
1-cyclopropyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 69193043
3-chloro-1-cyclobutyl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine
CID 105465676
1-cyclobutyl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridin-3-amine
CID 105446509
2-(4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)cyclohexan-1-ol
CID 64854188

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine-3-carboxylic acid?
The IUPAC name of 2-cyclopentyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine-3-carboxylic acid (CID 105496410) is 2-cyclopentyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-cyclopentyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine-3-carboxylic acid?
The canonical SMILES for 2-cyclopentyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine-3-carboxylic acid is O=C(O)c1c2c(nn1C1CCCC1)CNCC2.
What is the InChIKey of 2-cyclopentyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine-3-carboxylic acid?
The InChIKey is QPFUQEYJDPEUSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c16-12(17)11-9-5-6-13-7-10(9)14-15(11)8-3-1-2-4-8/h8,13H,1-7H2,(H,16,17).
What are the key properties of 2-cyclopentyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine-3-carboxylic acid?
2-cyclopentyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine-3-carboxylic acid has a molecular weight of 235.29 g/mol, XLogP of 1.34, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine-3-carboxylic acid is sourced from PubChem (CID 105496410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).