2-(3-fluorophenyl)-5-N-[4-(1,3-oxazol-2-yl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide

C23H19FN6O3 — CID 122650872

IUPAC2-(3-fluorophenyl)-5-N-[4-(1,3-oxazol-2-yl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESNC(=O)c1c(-c2cccc(F)c2)nn2c1CN(C(=O)Nc1ccc(-c3ncco3)cc1)CC2
InChIInChI=1S/C23H19FN6O3/c24-16-3-1-2-15(12-16)20-19(21(25)31)18-13-29(9-10-30(18)28-20)23(32)27-17-6-4-14(5-7-17)22-26-8-11-33-22/h1-8,11-12H,9-10,13H2,(H2,25,31)(H,27,32)
InChIKeyBIYNHDQNBBNPIU-UHFFFAOYSA-N
MW446.44 g/mol
LogP3.49
Rot. Bonds4

About 2-(3-fluorophenyl)-5-N-[4-(1,3-oxazol-2-yl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide

2-(3-fluorophenyl)-5-N-[4-(1,3-oxazol-2-yl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (PubChem CID 122650872) has the molecular formula C23H19FN6O3 and a molecular weight of 446.44 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-5-N-[4-(1,3-oxazol-2-yl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide.

Molecular Properties

Compound Name2-(3-fluorophenyl)-5-N-[4-(1,3-oxazol-2-yl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
PubChem CID122650872
Molecular FormulaC23H19FN6O3
Molecular Weight446.44 g/mol
Exact Mass446.15
IUPAC Name2-(3-fluorophenyl)-5-N-[4-(1,3-oxazol-2-yl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESNC(=O)c1c(-c2cccc(F)c2)nn2c1CN(C(=O)Nc1ccc(-c3ncco3)cc1)CC2
InChIInChI=1S/C23H19FN6O3/c24-16-3-1-2-15(12-16)20-19(21(25)31)18-13-29(9-10-30(18)28-20)23(32)27-17-6-4-14(5-7-17)22-26-8-11-33-22/h1-8,11-12H,9-10,13H2,(H2,25,31)(H,27,32)
InChIKeyBIYNHDQNBBNPIU-UHFFFAOYSA-N
XLogP3.49
TPSA119.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.44
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-5-N-[4-(1,3-oxazol-2-yl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The IUPAC name of 2-(3-fluorophenyl)-5-N-[4-(1,3-oxazol-2-yl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (CID 122650872) is 2-(3-fluorophenyl)-5-N-[4-(1,3-oxazol-2-yl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide.
What is the SMILES notation for 2-(3-fluorophenyl)-5-N-[4-(1,3-oxazol-2-yl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The canonical SMILES for 2-(3-fluorophenyl)-5-N-[4-(1,3-oxazol-2-yl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is NC(=O)c1c(-c2cccc(F)c2)nn2c1CN(C(=O)Nc1ccc(-c3ncco3)cc1)CC2.
What is the InChIKey of 2-(3-fluorophenyl)-5-N-[4-(1,3-oxazol-2-yl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The InChIKey is BIYNHDQNBBNPIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN6O3/c24-16-3-1-2-15(12-16)20-19(21(25)31)18-13-29(9-10-30(18)28-20)23(32)27-17-6-4-14(5-7-17)22-26-8-11-33-22/h1-8,11-12H,9-10,13H2,(H2,25,31)(H,27,32).
What are the key properties of 2-(3-fluorophenyl)-5-N-[4-(1,3-oxazol-2-yl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
2-(3-fluorophenyl)-5-N-[4-(1,3-oxazol-2-yl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide has a molecular weight of 446.44 g/mol, XLogP of 3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-5-N-[4-(1,3-oxazol-2-yl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is sourced from PubChem (CID 122650872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).