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

C20H17F2N5O2 — CID 118069150

IUPAC2-(3-fluorophenyl)-5-N-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESNC(=O)c1c(-c2cccc(F)c2)nn2c1CN(C(=O)Nc1ccc(F)cc1)CC2
InChIInChI=1S/C20H17F2N5O2/c21-13-4-6-15(7-5-13)24-20(29)26-8-9-27-16(11-26)17(19(23)28)18(25-27)12-2-1-3-14(22)10-12/h1-7,10H,8-9,11H2,(H2,23,28)(H,24,29)
InChIKeyNHQNHJBTEGWIEH-UHFFFAOYSA-N
MW397.39 g/mol
LogP2.97
Rot. Bonds3

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

2-(3-fluorophenyl)-5-N-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (PubChem CID 118069150) has the molecular formula C20H17F2N5O2 and a molecular weight of 397.39 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-5-N-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide.

Molecular Properties

Compound Name2-(3-fluorophenyl)-5-N-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
PubChem CID118069150
Molecular FormulaC20H17F2N5O2
Molecular Weight397.39 g/mol
Exact Mass397.14
IUPAC Name2-(3-fluorophenyl)-5-N-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESNC(=O)c1c(-c2cccc(F)c2)nn2c1CN(C(=O)Nc1ccc(F)cc1)CC2
InChIInChI=1S/C20H17F2N5O2/c21-13-4-6-15(7-5-13)24-20(29)26-8-9-27-16(11-26)17(19(23)28)18(25-27)12-2-1-3-14(22)10-12/h1-7,10H,8-9,11H2,(H2,23,28)(H,24,29)
InChIKeyNHQNHJBTEGWIEH-UHFFFAOYSA-N
XLogP2.97
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.39
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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(3R)-3-amino-4-(2,5-difluorophenyl)-1-[3-(4-fluorophenyl)-2-methyl-2H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl]butan-1-one
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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-5-N-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The IUPAC name of 2-(3-fluorophenyl)-5-N-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (CID 118069150) is 2-(3-fluorophenyl)-5-N-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide.
What is the SMILES notation for 2-(3-fluorophenyl)-5-N-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The canonical SMILES for 2-(3-fluorophenyl)-5-N-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is NC(=O)c1c(-c2cccc(F)c2)nn2c1CN(C(=O)Nc1ccc(F)cc1)CC2.
What is the InChIKey of 2-(3-fluorophenyl)-5-N-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The InChIKey is NHQNHJBTEGWIEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N5O2/c21-13-4-6-15(7-5-13)24-20(29)26-8-9-27-16(11-26)17(19(23)28)18(25-27)12-2-1-3-14(22)10-12/h1-7,10H,8-9,11H2,(H2,23,28)(H,24,29).
What are the key properties of 2-(3-fluorophenyl)-5-N-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
2-(3-fluorophenyl)-5-N-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide has a molecular weight of 397.39 g/mol, XLogP of 2.97, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-5-N-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is sourced from PubChem (CID 118069150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).