3-(2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl)propanoic acid

C11H16N2O2 — CID 83883880

IUPAC3-(2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl)propanoic acid
SMILESCc1cc2n(n1)CCCC2CCC(=O)O
InChIInChI=1S/C11H16N2O2/c1-8-7-10-9(4-5-11(14)15)3-2-6-13(10)12-8/h7,9H,2-6H2,1H3,(H,14,15)
InChIKeyKEUWVPSQUGKXFC-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.93
Rot. Bonds3

About 3-(2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl)propanoic acid

3-(2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl)propanoic acid (PubChem CID 83883880) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 3-(2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl)propanoic acid.

Molecular Properties

Compound Name3-(2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl)propanoic acid
PubChem CID83883880
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name3-(2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl)propanoic acid
SMILESCc1cc2n(n1)CCCC2CCC(=O)O
InChIInChI=1S/C11H16N2O2/c1-8-7-10-9(4-5-11(14)15)3-2-6-13(10)12-8/h7,9H,2-6H2,1H3,(H,14,15)
InChIKeyKEUWVPSQUGKXFC-UHFFFAOYSA-N
XLogP1.93
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine
CID 124547686
3-(5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridin-8-yl)propanoic acid
CID 83879776
3-[1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidin-2-yl]propanoic acid
CID 66126978
4-(6-methyl-2,3-dihydroimidazo[1,2-b]pyrazol-1-yl)-4-oxobutanoic acid
CID 118165449
3-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]propanoic acid
CID 62218201
3-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-2-yl]propanoic acid
CID 62216991
3-[(1R)-2-oxocyclododecyl]propanoic acid
CID 7018981
3-[1-(3,5-dimethylcyclohexyl)piperidin-2-yl]propanoic acid
CID 64730669
3-[1-(3-methylpyrazin-2-yl)piperidin-3-yl]propanoic acid
CID 83064668
3-[1-(4-hydroxy-2-methylbenzoyl)piperidin-3-yl]propanoic acid
CID 107670760
4-[ethyl(methyl)amino]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepine-2-carboxylic acid
CID 165476083
4-(diethylamino)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepine-2-carboxylic acid
CID 165476081

Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl)propanoic acid?
The IUPAC name of 3-(2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl)propanoic acid (CID 83883880) is 3-(2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl)propanoic acid.
What is the SMILES notation for 3-(2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl)propanoic acid?
The canonical SMILES for 3-(2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl)propanoic acid is Cc1cc2n(n1)CCCC2CCC(=O)O.
What is the InChIKey of 3-(2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl)propanoic acid?
The InChIKey is KEUWVPSQUGKXFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-8-7-10-9(4-5-11(14)15)3-2-6-13(10)12-8/h7,9H,2-6H2,1H3,(H,14,15).
What are the key properties of 3-(2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl)propanoic acid?
3-(2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl)propanoic acid has a molecular weight of 208.26 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl)propanoic acid is sourced from PubChem (CID 83883880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).