2-[5-(4-fluorophenyl)tetrazol-2-yl]-1-[2-(1-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone

C17H18FN7O2 — CID 90649913

IUPAC2-[5-(4-fluorophenyl)tetrazol-2-yl]-1-[2-(1-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone
SMILESCC(O)c1cc2n(n1)CCN(C(=O)Cn1nnc(-c3ccc(F)cc3)n1)C2
InChIInChI=1S/C17H18FN7O2/c1-11(26)15-8-14-9-23(6-7-24(14)20-15)16(27)10-25-21-17(19-22-25)12-2-4-13(18)5-3-12/h2-5,8,11,26H,6-7,9-10H2,1H3
InChIKeyFHLYUNAMYPRISS-UHFFFAOYSA-N
MW371.38 g/mol
LogP0.77
Rot. Bonds4

About 2-[5-(4-fluorophenyl)tetrazol-2-yl]-1-[2-(1-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone

2-[5-(4-fluorophenyl)tetrazol-2-yl]-1-[2-(1-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone (PubChem CID 90649913) has the molecular formula C17H18FN7O2 and a molecular weight of 371.38 g/mol. Its IUPAC name is 2-[5-(4-fluorophenyl)tetrazol-2-yl]-1-[2-(1-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone.

Molecular Properties

Compound Name2-[5-(4-fluorophenyl)tetrazol-2-yl]-1-[2-(1-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone
PubChem CID90649913
Molecular FormulaC17H18FN7O2
Molecular Weight371.38 g/mol
Exact Mass371.15
IUPAC Name2-[5-(4-fluorophenyl)tetrazol-2-yl]-1-[2-(1-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone
SMILESCC(O)c1cc2n(n1)CCN(C(=O)Cn1nnc(-c3ccc(F)cc3)n1)C2
InChIInChI=1S/C17H18FN7O2/c1-11(26)15-8-14-9-23(6-7-24(14)20-15)16(27)10-25-21-17(19-22-25)12-2-4-13(18)5-3-12/h2-5,8,11,26H,6-7,9-10H2,1H3
InChIKeyFHLYUNAMYPRISS-UHFFFAOYSA-N
XLogP0.77
TPSA101.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.38
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[5-(4-fluorophenyl)tetrazol-2-yl]-1-[2-(1-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone 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-[5-(4-fluorophenyl)tetrazol-2-yl]-1-[2-(1-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone?
The IUPAC name of 2-[5-(4-fluorophenyl)tetrazol-2-yl]-1-[2-(1-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone (CID 90649913) is 2-[5-(4-fluorophenyl)tetrazol-2-yl]-1-[2-(1-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone.
What is the SMILES notation for 2-[5-(4-fluorophenyl)tetrazol-2-yl]-1-[2-(1-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone?
The canonical SMILES for 2-[5-(4-fluorophenyl)tetrazol-2-yl]-1-[2-(1-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone is CC(O)c1cc2n(n1)CCN(C(=O)Cn1nnc(-c3ccc(F)cc3)n1)C2.
What is the InChIKey of 2-[5-(4-fluorophenyl)tetrazol-2-yl]-1-[2-(1-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone?
The InChIKey is FHLYUNAMYPRISS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN7O2/c1-11(26)15-8-14-9-23(6-7-24(14)20-15)16(27)10-25-21-17(19-22-25)12-2-4-13(18)5-3-12/h2-5,8,11,26H,6-7,9-10H2,1H3.
What are the key properties of 2-[5-(4-fluorophenyl)tetrazol-2-yl]-1-[2-(1-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone?
2-[5-(4-fluorophenyl)tetrazol-2-yl]-1-[2-(1-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone has a molecular weight of 371.38 g/mol, XLogP of 0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-fluorophenyl)tetrazol-2-yl]-1-[2-(1-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone is sourced from PubChem (CID 90649913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).