4-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylic acid

C9H12N2O2 — CID 83816895

IUPAC4-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylic acid
SMILESCC1CCCn2nc(C(=O)O)cc21
InChIInChI=1S/C9H12N2O2/c1-6-3-2-4-11-8(6)5-7(10-11)9(12)13/h5-6H,2-4H2,1H3,(H,12,13)
InChIKeyGWNWBTZEPWPBFO-UHFFFAOYSA-N
MW180.21 g/mol
LogP1.48
Rot. Bonds1

About 4-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylic acid

4-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylic acid (PubChem CID 83816895) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 4-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylic acid
PubChem CID83816895
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name4-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylic acid
SMILESCC1CCCn2nc(C(=O)O)cc21
InChIInChI=1S/C9H12N2O2/c1-6-3-2-4-11-8(6)5-7(10-11)9(12)13/h5-6H,2-4H2,1H3,(H,12,13)
InChIKeyGWNWBTZEPWPBFO-UHFFFAOYSA-N
XLogP1.48
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylic acid?
The IUPAC name of 4-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylic acid (CID 83816895) is 4-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylic acid?
The canonical SMILES for 4-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylic acid is CC1CCCn2nc(C(=O)O)cc21.
What is the InChIKey of 4-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylic acid?
The InChIKey is GWNWBTZEPWPBFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-6-3-2-4-11-8(6)5-7(10-11)9(12)13/h5-6H,2-4H2,1H3,(H,12,13).
What are the key properties of 4-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylic acid?
4-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylic acid has a molecular weight of 180.21 g/mol, XLogP of 1.48, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylic acid is sourced from PubChem (CID 83816895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).