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

C13H16N4O2 — CID 104729670

IUPAC2-methyl-1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)pyrrolidine-3-carboxylic acid
SMILESCc1cc2c(N3CCC(C(=O)O)C3C)nccn2n1
InChIInChI=1S/C13H16N4O2/c1-8-7-11-12(14-4-6-17(11)15-8)16-5-3-10(9(16)2)13(18)19/h4,6-7,9-10H,3,5H2,1-2H3,(H,18,19)
InChIKeySUMCSNCXXJPBGH-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.34
Rot. Bonds2

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

2-methyl-1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)pyrrolidine-3-carboxylic acid (PubChem CID 104729670) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 2-methyl-1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)pyrrolidine-3-carboxylic acid
PubChem CID104729670
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name2-methyl-1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)pyrrolidine-3-carboxylic acid
SMILESCc1cc2c(N3CCC(C(=O)O)C3C)nccn2n1
InChIInChI=1S/C13H16N4O2/c1-8-7-11-12(14-4-6-17(11)15-8)16-5-3-10(9(16)2)13(18)19/h4,6-7,9-10H,3,5H2,1-2H3,(H,18,19)
InChIKeySUMCSNCXXJPBGH-UHFFFAOYSA-N
XLogP1.34
TPSA70.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methyl-1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)pyrrolidine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 2-methyl-1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)pyrrolidine-3-carboxylic acid (CID 104729670) is 2-methyl-1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 2-methyl-1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 2-methyl-1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)pyrrolidine-3-carboxylic acid is Cc1cc2c(N3CCC(C(=O)O)C3C)nccn2n1.
What is the InChIKey of 2-methyl-1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)pyrrolidine-3-carboxylic acid?
The InChIKey is SUMCSNCXXJPBGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-8-7-11-12(14-4-6-17(11)15-8)16-5-3-10(9(16)2)13(18)19/h4,6-7,9-10H,3,5H2,1-2H3,(H,18,19).
What are the key properties of 2-methyl-1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)pyrrolidine-3-carboxylic acid?
2-methyl-1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)pyrrolidine-3-carboxylic acid has a molecular weight of 260.30 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 104729670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).