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

C18H21FN4O3 — CID 56904025

IUPAC3-[5-[2-(2-fluorophenyl)ethylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid
SMILESO=C(O)CCc1cc2n(n1)CCN(C(=O)NCCc1ccccc1F)C2
InChIInChI=1S/C18H21FN4O3/c19-16-4-2-1-3-13(16)7-8-20-18(26)22-9-10-23-15(12-22)11-14(21-23)5-6-17(24)25/h1-4,11H,5-10,12H2,(H,20,26)(H,24,25)
InChIKeyQTAURHTYSOBLNW-UHFFFAOYSA-N
MW360.39 g/mol
LogP1.81
Rot. Bonds6

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

3-[5-[2-(2-fluorophenyl)ethylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid (PubChem CID 56904025) has the molecular formula C18H21FN4O3 and a molecular weight of 360.39 g/mol. Its IUPAC name is 3-[5-[2-(2-fluorophenyl)ethylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[5-[2-(2-fluorophenyl)ethylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid
PubChem CID56904025
Molecular FormulaC18H21FN4O3
Molecular Weight360.39 g/mol
Exact Mass360.16
IUPAC Name3-[5-[2-(2-fluorophenyl)ethylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid
SMILESO=C(O)CCc1cc2n(n1)CCN(C(=O)NCCc1ccccc1F)C2
InChIInChI=1S/C18H21FN4O3/c19-16-4-2-1-3-13(16)7-8-20-18(26)22-9-10-23-15(12-22)11-14(21-23)5-6-17(24)25/h1-4,11H,5-10,12H2,(H,20,26)(H,24,25)
InChIKeyQTAURHTYSOBLNW-UHFFFAOYSA-N
XLogP1.81
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[2-(2-fluorophenyl)ethylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid?
The IUPAC name of 3-[5-[2-(2-fluorophenyl)ethylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid (CID 56904025) is 3-[5-[2-(2-fluorophenyl)ethylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid.
What is the SMILES notation for 3-[5-[2-(2-fluorophenyl)ethylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid?
The canonical SMILES for 3-[5-[2-(2-fluorophenyl)ethylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid is O=C(O)CCc1cc2n(n1)CCN(C(=O)NCCc1ccccc1F)C2.
What is the InChIKey of 3-[5-[2-(2-fluorophenyl)ethylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid?
The InChIKey is QTAURHTYSOBLNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O3/c19-16-4-2-1-3-13(16)7-8-20-18(26)22-9-10-23-15(12-22)11-14(21-23)5-6-17(24)25/h1-4,11H,5-10,12H2,(H,20,26)(H,24,25).
What are the key properties of 3-[5-[2-(2-fluorophenyl)ethylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid?
3-[5-[2-(2-fluorophenyl)ethylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid has a molecular weight of 360.39 g/mol, XLogP of 1.81, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[2-(2-fluorophenyl)ethylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid is sourced from PubChem (CID 56904025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).