5-[3-[(4-fluorobenzoyl)amino]propanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylic acid

C17H17FN4O4 — CID 50953128

IUPAC5-[3-[(4-fluorobenzoyl)amino]propanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylic acid
SMILESO=C(NCCC(=O)N1CCn2nc(C(=O)O)cc2C1)c1ccc(F)cc1
InChIInChI=1S/C17H17FN4O4/c18-12-3-1-11(2-4-12)16(24)19-6-5-15(23)21-7-8-22-13(10-21)9-14(20-22)17(25)26/h1-4,9H,5-8,10H2,(H,19,24)(H,25,26)
InChIKeyYSTPZDPZSVRMKM-UHFFFAOYSA-N
MW360.35 g/mol
LogP0.88
Rot. Bonds5

About 5-[3-[(4-fluorobenzoyl)amino]propanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylic acid

5-[3-[(4-fluorobenzoyl)amino]propanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylic acid (PubChem CID 50953128) has the molecular formula C17H17FN4O4 and a molecular weight of 360.35 g/mol. Its IUPAC name is 5-[3-[(4-fluorobenzoyl)amino]propanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[3-[(4-fluorobenzoyl)amino]propanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylic acid
PubChem CID50953128
Molecular FormulaC17H17FN4O4
Molecular Weight360.35 g/mol
Exact Mass360.12
IUPAC Name5-[3-[(4-fluorobenzoyl)amino]propanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylic acid
SMILESO=C(NCCC(=O)N1CCn2nc(C(=O)O)cc2C1)c1ccc(F)cc1
InChIInChI=1S/C17H17FN4O4/c18-12-3-1-11(2-4-12)16(24)19-6-5-15(23)21-7-8-22-13(10-21)9-14(20-22)17(25)26/h1-4,9H,5-8,10H2,(H,19,24)(H,25,26)
InChIKeyYSTPZDPZSVRMKM-UHFFFAOYSA-N
XLogP0.88
TPSA104.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.35
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[(4-fluorobenzoyl)amino]propanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[3-[(4-fluorobenzoyl)amino]propanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylic acid (CID 50953128) is 5-[3-[(4-fluorobenzoyl)amino]propanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[3-[(4-fluorobenzoyl)amino]propanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[3-[(4-fluorobenzoyl)amino]propanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylic acid is O=C(NCCC(=O)N1CCn2nc(C(=O)O)cc2C1)c1ccc(F)cc1.
What is the InChIKey of 5-[3-[(4-fluorobenzoyl)amino]propanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylic acid?
The InChIKey is YSTPZDPZSVRMKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O4/c18-12-3-1-11(2-4-12)16(24)19-6-5-15(23)21-7-8-22-13(10-21)9-14(20-22)17(25)26/h1-4,9H,5-8,10H2,(H,19,24)(H,25,26).
What are the key properties of 5-[3-[(4-fluorobenzoyl)amino]propanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylic acid?
5-[3-[(4-fluorobenzoyl)amino]propanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylic acid has a molecular weight of 360.35 g/mol, XLogP of 0.88, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[(4-fluorobenzoyl)amino]propanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylic acid is sourced from PubChem (CID 50953128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).