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

C26H22FN5O3 — CID 118061143

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-(3-fluorophenyl)-5-N-(4-phenoxyphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESNC(=O)c1c(-c2cccc(F)c2)nn2c1CN(C(=O)Nc1ccc(Oc3ccccc3)cc1)CC2
InChIInChI=1S/C26H22FN5O3/c27-18-6-4-5-17(15-18)24-23(25(28)33)22-16-31(13-14-32(22)30-24)26(34)29-19-9-11-21(12-10-19)35-20-7-2-1-3-8-20/h1-12,15H,13-14,16H2,(H2,28,33)(H,29,34)
InChIKeyAHDJROJYBMKABG-UHFFFAOYSA-N
MW471.49 g/mol
LogP4.63
Rot. Bonds5

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

2-(3-fluorophenyl)-5-N-(4-phenoxyphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (PubChem CID 118061143) has the molecular formula C26H22FN5O3 and a molecular weight of 471.49 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-5-N-(4-phenoxyphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide.

Molecular Properties

Compound Name2-(3-fluorophenyl)-5-N-(4-phenoxyphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
PubChem CID118061143
Molecular FormulaC26H22FN5O3
Molecular Weight471.49 g/mol
Exact Mass471.17
IUPAC Name2-(3-fluorophenyl)-5-N-(4-phenoxyphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESNC(=O)c1c(-c2cccc(F)c2)nn2c1CN(C(=O)Nc1ccc(Oc3ccccc3)cc1)CC2
InChIInChI=1S/C26H22FN5O3/c27-18-6-4-5-17(15-18)24-23(25(28)33)22-16-31(13-14-32(22)30-24)26(34)29-19-9-11-21(12-10-19)35-20-7-2-1-3-8-20/h1-12,15H,13-14,16H2,(H2,28,33)(H,29,34)
InChIKeyAHDJROJYBMKABG-UHFFFAOYSA-N
XLogP4.63
TPSA102.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.49
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-5-N-(4-phenoxyphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The IUPAC name of 2-(3-fluorophenyl)-5-N-(4-phenoxyphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (CID 118061143) is 2-(3-fluorophenyl)-5-N-(4-phenoxyphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide.
What is the SMILES notation for 2-(3-fluorophenyl)-5-N-(4-phenoxyphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The canonical SMILES for 2-(3-fluorophenyl)-5-N-(4-phenoxyphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is NC(=O)c1c(-c2cccc(F)c2)nn2c1CN(C(=O)Nc1ccc(Oc3ccccc3)cc1)CC2.
What is the InChIKey of 2-(3-fluorophenyl)-5-N-(4-phenoxyphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The InChIKey is AHDJROJYBMKABG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22FN5O3/c27-18-6-4-5-17(15-18)24-23(25(28)33)22-16-31(13-14-32(22)30-24)26(34)29-19-9-11-21(12-10-19)35-20-7-2-1-3-8-20/h1-12,15H,13-14,16H2,(H2,28,33)(H,29,34).
What are the key properties of 2-(3-fluorophenyl)-5-N-(4-phenoxyphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
2-(3-fluorophenyl)-5-N-(4-phenoxyphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide has a molecular weight of 471.49 g/mol, XLogP of 4.63, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-5-N-(4-phenoxyphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is sourced from PubChem (CID 118061143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

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