(6S)-6-methyl-3-(2-oxopyrrolidin-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid

C12H16N4O3 — CID 121484415

IUPAC(6S)-6-methyl-3-(2-oxopyrrolidin-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid
SMILESC[C@H]1Cn2ncc(C3CCNC3=O)c2CN1C(=O)O
InChIInChI=1S/C12H16N4O3/c1-7-5-16-10(6-15(7)12(18)19)9(4-14-16)8-2-3-13-11(8)17/h4,7-8H,2-3,5-6H2,1H3,(H,13,17)(H,18,19)/t7-,8?/m0/s1
InChIKeyRSJMMITVUFSTJH-JAMMHHFISA-N
MW264.28 g/mol
LogP0.37
Rot. Bonds1

About (6S)-6-methyl-3-(2-oxopyrrolidin-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid

(6S)-6-methyl-3-(2-oxopyrrolidin-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid (PubChem CID 121484415) has the molecular formula C12H16N4O3 and a molecular weight of 264.28 g/mol. Its IUPAC name is (6S)-6-methyl-3-(2-oxopyrrolidin-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid.

Molecular Properties

Compound Name(6S)-6-methyl-3-(2-oxopyrrolidin-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid
PubChem CID121484415
Molecular FormulaC12H16N4O3
Molecular Weight264.28 g/mol
Exact Mass264.12
IUPAC Name(6S)-6-methyl-3-(2-oxopyrrolidin-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid
SMILESC[C@H]1Cn2ncc(C3CCNC3=O)c2CN1C(=O)O
InChIInChI=1S/C12H16N4O3/c1-7-5-16-10(6-15(7)12(18)19)9(4-14-16)8-2-3-13-11(8)17/h4,7-8H,2-3,5-6H2,1H3,(H,13,17)(H,18,19)/t7-,8?/m0/s1
InChIKeyRSJMMITVUFSTJH-JAMMHHFISA-N
XLogP0.37
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (6S)-6-methyl-3-(2-oxopyrrolidin-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-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 (6S)-6-methyl-3-(2-oxopyrrolidin-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid?
The IUPAC name of (6S)-6-methyl-3-(2-oxopyrrolidin-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid (CID 121484415) is (6S)-6-methyl-3-(2-oxopyrrolidin-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid.
What is the SMILES notation for (6S)-6-methyl-3-(2-oxopyrrolidin-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid?
The canonical SMILES for (6S)-6-methyl-3-(2-oxopyrrolidin-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid is C[C@H]1Cn2ncc(C3CCNC3=O)c2CN1C(=O)O.
What is the InChIKey of (6S)-6-methyl-3-(2-oxopyrrolidin-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid?
The InChIKey is RSJMMITVUFSTJH-JAMMHHFISA-N. The full InChI is InChI=1S/C12H16N4O3/c1-7-5-16-10(6-15(7)12(18)19)9(4-14-16)8-2-3-13-11(8)17/h4,7-8H,2-3,5-6H2,1H3,(H,13,17)(H,18,19)/t7-,8?/m0/s1.
What are the key properties of (6S)-6-methyl-3-(2-oxopyrrolidin-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid?
(6S)-6-methyl-3-(2-oxopyrrolidin-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid has a molecular weight of 264.28 g/mol, XLogP of 0.37, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-methyl-3-(2-oxopyrrolidin-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid is sourced from PubChem (CID 121484415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).