3-ethyl-1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-3-carboxylic acid

C15H20N4O2 — CID 104729524

IUPAC3-ethyl-1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCCN(c2nccn3nc(C)cc23)C1
InChIInChI=1S/C15H20N4O2/c1-3-15(14(20)21)5-4-7-18(10-15)13-12-9-11(2)17-19(12)8-6-16-13/h6,8-9H,3-5,7,10H2,1-2H3,(H,20,21)
InChIKeyVUZZEFARHZIELT-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.12
Rot. Bonds3

About 3-ethyl-1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-3-carboxylic acid

3-ethyl-1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-3-carboxylic acid (PubChem CID 104729524) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 3-ethyl-1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-3-carboxylic acid
PubChem CID104729524
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name3-ethyl-1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCCN(c2nccn3nc(C)cc23)C1
InChIInChI=1S/C15H20N4O2/c1-3-15(14(20)21)5-4-7-18(10-15)13-12-9-11(2)17-19(12)8-6-16-13/h6,8-9H,3-5,7,10H2,1-2H3,(H,20,21)
InChIKeyVUZZEFARHZIELT-UHFFFAOYSA-N
XLogP2.12
TPSA70.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-3-carboxylic acid?
The IUPAC name of 3-ethyl-1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-3-carboxylic acid (CID 104729524) is 3-ethyl-1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-3-carboxylic acid.
What is the SMILES notation for 3-ethyl-1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-3-carboxylic acid?
The canonical SMILES for 3-ethyl-1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-3-carboxylic acid is CCC1(C(=O)O)CCCN(c2nccn3nc(C)cc23)C1.
What is the InChIKey of 3-ethyl-1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-3-carboxylic acid?
The InChIKey is VUZZEFARHZIELT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-3-15(14(20)21)5-4-7-18(10-15)13-12-9-11(2)17-19(12)8-6-16-13/h6,8-9H,3-5,7,10H2,1-2H3,(H,20,21).
What are the key properties of 3-ethyl-1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-3-carboxylic acid?
3-ethyl-1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-3-carboxylic acid has a molecular weight of 288.35 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-3-carboxylic acid is sourced from PubChem (CID 104729524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).