2-[[2-(2-carboxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]-1,3-oxazole-4-carboxylic acid

C14H16N4O5 — CID 56897968

IUPAC2-[[2-(2-carboxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)CCc1cc2n(n1)CCN(Cc1nc(C(=O)O)co1)C2
InChIInChI=1S/C14H16N4O5/c19-13(20)2-1-9-5-10-6-17(3-4-18(10)16-9)7-12-15-11(8-23-12)14(21)22/h5,8H,1-4,6-7H2,(H,19,20)(H,21,22)
InChIKeyPQHAJLPQBLXISR-UHFFFAOYSA-N
MW320.31 g/mol
LogP0.60
Rot. Bonds6

About 2-[[2-(2-carboxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]-1,3-oxazole-4-carboxylic acid

2-[[2-(2-carboxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]-1,3-oxazole-4-carboxylic acid (PubChem CID 56897968) has the molecular formula C14H16N4O5 and a molecular weight of 320.31 g/mol. Its IUPAC name is 2-[[2-(2-carboxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[[2-(2-carboxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]-1,3-oxazole-4-carboxylic acid
PubChem CID56897968
Molecular FormulaC14H16N4O5
Molecular Weight320.31 g/mol
Exact Mass320.11
IUPAC Name2-[[2-(2-carboxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)CCc1cc2n(n1)CCN(Cc1nc(C(=O)O)co1)C2
InChIInChI=1S/C14H16N4O5/c19-13(20)2-1-9-5-10-6-17(3-4-18(10)16-9)7-12-15-11(8-23-12)14(21)22/h5,8H,1-4,6-7H2,(H,19,20)(H,21,22)
InChIKeyPQHAJLPQBLXISR-UHFFFAOYSA-N
XLogP0.60
TPSA121.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.31
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[[2-(2-carboxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]-1,3-oxazole-4-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-[[2-(2-carboxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 2-[[2-(2-carboxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]-1,3-oxazole-4-carboxylic acid (CID 56897968) is 2-[[2-(2-carboxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 2-[[2-(2-carboxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 2-[[2-(2-carboxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]-1,3-oxazole-4-carboxylic acid is O=C(O)CCc1cc2n(n1)CCN(Cc1nc(C(=O)O)co1)C2.
What is the InChIKey of 2-[[2-(2-carboxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]-1,3-oxazole-4-carboxylic acid?
The InChIKey is PQHAJLPQBLXISR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O5/c19-13(20)2-1-9-5-10-6-17(3-4-18(10)16-9)7-12-15-11(8-23-12)14(21)22/h5,8H,1-4,6-7H2,(H,19,20)(H,21,22).
What are the key properties of 2-[[2-(2-carboxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]-1,3-oxazole-4-carboxylic acid?
2-[[2-(2-carboxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]-1,3-oxazole-4-carboxylic acid has a molecular weight of 320.31 g/mol, XLogP of 0.60, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-carboxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 56897968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).