3-[5-[2-(4-propan-2-ylphenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid

C20H25N3O3 — CID 56899900

IUPAC3-[5-[2-(4-propan-2-ylphenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid
SMILESCC(C)c1ccc(CC(=O)N2CCn3nc(CCC(=O)O)cc3C2)cc1
InChIInChI=1S/C20H25N3O3/c1-14(2)16-5-3-15(4-6-16)11-19(24)22-9-10-23-18(13-22)12-17(21-23)7-8-20(25)26/h3-6,12,14H,7-11,13H2,1-2H3,(H,25,26)
InChIKeyKZJBPGJPYPMGJH-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.61
Rot. Bonds6

About 3-[5-[2-(4-propan-2-ylphenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid

3-[5-[2-(4-propan-2-ylphenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid (PubChem CID 56899900) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is 3-[5-[2-(4-propan-2-ylphenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[5-[2-(4-propan-2-ylphenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid
PubChem CID56899900
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name3-[5-[2-(4-propan-2-ylphenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid
SMILESCC(C)c1ccc(CC(=O)N2CCn3nc(CCC(=O)O)cc3C2)cc1
InChIInChI=1S/C20H25N3O3/c1-14(2)16-5-3-15(4-6-16)11-19(24)22-9-10-23-18(13-22)12-17(21-23)7-8-20(25)26/h3-6,12,14H,7-11,13H2,1-2H3,(H,25,26)
InChIKeyKZJBPGJPYPMGJH-UHFFFAOYSA-N
XLogP2.61
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[5-[2-(4-propan-2-ylphenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic 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 3-[5-[2-(4-propan-2-ylphenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid?
The IUPAC name of 3-[5-[2-(4-propan-2-ylphenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid (CID 56899900) is 3-[5-[2-(4-propan-2-ylphenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid.
What is the SMILES notation for 3-[5-[2-(4-propan-2-ylphenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid?
The canonical SMILES for 3-[5-[2-(4-propan-2-ylphenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid is CC(C)c1ccc(CC(=O)N2CCn3nc(CCC(=O)O)cc3C2)cc1.
What is the InChIKey of 3-[5-[2-(4-propan-2-ylphenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid?
The InChIKey is KZJBPGJPYPMGJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-14(2)16-5-3-15(4-6-16)11-19(24)22-9-10-23-18(13-22)12-17(21-23)7-8-20(25)26/h3-6,12,14H,7-11,13H2,1-2H3,(H,25,26).
What are the key properties of 3-[5-[2-(4-propan-2-ylphenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid?
3-[5-[2-(4-propan-2-ylphenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid has a molecular weight of 355.44 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[2-(4-propan-2-ylphenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid is sourced from PubChem (CID 56899900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).