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

C15H20N4O2 — CID 104729669

IUPAC2-methyl-1-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)pyrrolidine-3-carboxylic acid
SMILESCC(C)c1cc2c(N3CCC(C(=O)O)C3C)nccn2n1
InChIInChI=1S/C15H20N4O2/c1-9(2)12-8-13-14(16-5-7-19(13)17-12)18-6-4-11(10(18)3)15(20)21/h5,7-11H,4,6H2,1-3H3,(H,20,21)
InChIKeyYDRPJZUQGSUVMQ-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.15
Rot. Bonds3

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

2-methyl-1-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)pyrrolidine-3-carboxylic acid (PubChem CID 104729669) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-methyl-1-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)pyrrolidine-3-carboxylic acid
PubChem CID104729669
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name2-methyl-1-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)pyrrolidine-3-carboxylic acid
SMILESCC(C)c1cc2c(N3CCC(C(=O)O)C3C)nccn2n1
InChIInChI=1S/C15H20N4O2/c1-9(2)12-8-13-14(16-5-7-19(13)17-12)18-6-4-11(10(18)3)15(20)21/h5,7-11H,4,6H2,1-3H3,(H,20,21)
InChIKeyYDRPJZUQGSUVMQ-UHFFFAOYSA-N
XLogP2.15
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 ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 2-methyl-1-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)pyrrolidine-3-carboxylic acid (CID 104729669) is 2-methyl-1-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 2-methyl-1-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 2-methyl-1-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)pyrrolidine-3-carboxylic acid is CC(C)c1cc2c(N3CCC(C(=O)O)C3C)nccn2n1.
What is the InChIKey of 2-methyl-1-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)pyrrolidine-3-carboxylic acid?
The InChIKey is YDRPJZUQGSUVMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-9(2)12-8-13-14(16-5-7-19(13)17-12)18-6-4-11(10(18)3)15(20)21/h5,7-11H,4,6H2,1-3H3,(H,20,21).
What are the key properties of 2-methyl-1-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)pyrrolidine-3-carboxylic acid?
2-methyl-1-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)pyrrolidine-3-carboxylic acid has a molecular weight of 288.35 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 104729669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).