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

C11H17N3O2 — CID 105480661

IUPAC2-tert-butyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine-3-carboxylic acid
SMILESCC(C)(C)n1nc2c(c1C(=O)O)CCNC2
InChIInChI=1S/C11H17N3O2/c1-11(2,3)14-9(10(15)16)7-4-5-12-6-8(7)13-14/h12H,4-6H2,1-3H3,(H,15,16)
InChIKeyKZTRIOXHSDTWJW-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.98
Rot. Bonds1

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

2-tert-butyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine-3-carboxylic acid (PubChem CID 105480661) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-tert-butyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-tert-butyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine-3-carboxylic acid
PubChem CID105480661
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name2-tert-butyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine-3-carboxylic acid
SMILESCC(C)(C)n1nc2c(c1C(=O)O)CCNC2
InChIInChI=1S/C11H17N3O2/c1-11(2,3)14-9(10(15)16)7-4-5-12-6-8(7)13-14/h12H,4-6H2,1-3H3,(H,15,16)
InChIKeyKZTRIOXHSDTWJW-UHFFFAOYSA-N
XLogP0.98
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine-3-carboxylic acid?
The IUPAC name of 2-tert-butyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine-3-carboxylic acid (CID 105480661) is 2-tert-butyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-tert-butyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine-3-carboxylic acid?
The canonical SMILES for 2-tert-butyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine-3-carboxylic acid is CC(C)(C)n1nc2c(c1C(=O)O)CCNC2.
What is the InChIKey of 2-tert-butyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine-3-carboxylic acid?
The InChIKey is KZTRIOXHSDTWJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-11(2,3)14-9(10(15)16)7-4-5-12-6-8(7)13-14/h12H,4-6H2,1-3H3,(H,15,16).
What are the key properties of 2-tert-butyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine-3-carboxylic acid?
2-tert-butyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine-3-carboxylic acid has a molecular weight of 223.28 g/mol, XLogP of 0.98, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine-3-carboxylic acid is sourced from PubChem (CID 105480661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).