1-(2-methylpropyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid

C11H17N3O2 — CID 105480647

IUPAC1-(2-methylpropyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid
SMILESCC(C)Cn1nc(C(=O)O)c2c1CCNC2
InChIInChI=1S/C11H17N3O2/c1-7(2)6-14-9-3-4-12-5-8(9)10(13-14)11(15)16/h7,12H,3-6H2,1-2H3,(H,15,16)
InChIKeyUKALJNNXRYUNGT-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.88
Rot. Bonds3

About 1-(2-methylpropyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid

1-(2-methylpropyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid (PubChem CID 105480647) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 1-(2-methylpropyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-methylpropyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid
PubChem CID105480647
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name1-(2-methylpropyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid
SMILESCC(C)Cn1nc(C(=O)O)c2c1CCNC2
InChIInChI=1S/C11H17N3O2/c1-7(2)6-14-9-3-4-12-5-8(9)10(13-14)11(15)16/h7,12H,3-6H2,1-2H3,(H,15,16)
InChIKeyUKALJNNXRYUNGT-UHFFFAOYSA-N
XLogP0.88
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid?
The IUPAC name of 1-(2-methylpropyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid (CID 105480647) is 1-(2-methylpropyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid.
What is the SMILES notation for 1-(2-methylpropyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid?
The canonical SMILES for 1-(2-methylpropyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid is CC(C)Cn1nc(C(=O)O)c2c1CCNC2.
What is the InChIKey of 1-(2-methylpropyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid?
The InChIKey is UKALJNNXRYUNGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-7(2)6-14-9-3-4-12-5-8(9)10(13-14)11(15)16/h7,12H,3-6H2,1-2H3,(H,15,16).
What are the key properties of 1-(2-methylpropyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid?
1-(2-methylpropyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid has a molecular weight of 223.28 g/mol, XLogP of 0.88, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid is sourced from PubChem (CID 105480647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).