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

C22H21F2N5O2 — CID 118062246

IUPAC2-(3-fluorophenyl)-3-N-[2-(4-fluorophenyl)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESNC(=O)N1CCn2nc(-c3cccc(F)c3)c(C(=O)NCCc3ccc(F)cc3)c2C1
InChIInChI=1S/C22H21F2N5O2/c23-16-6-4-14(5-7-16)8-9-26-21(30)19-18-13-28(22(25)31)10-11-29(18)27-20(19)15-2-1-3-17(24)12-15/h1-7,12H,8-11,13H2,(H2,25,31)(H,26,30)
InChIKeyWNIQMNIFQNGXLE-UHFFFAOYSA-N
MW425.44 g/mol
LogP2.70
Rot. Bonds5

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

2-(3-fluorophenyl)-3-N-[2-(4-fluorophenyl)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (PubChem CID 118062246) has the molecular formula C22H21F2N5O2 and a molecular weight of 425.44 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-3-N-[2-(4-fluorophenyl)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide.

Molecular Properties

Compound Name2-(3-fluorophenyl)-3-N-[2-(4-fluorophenyl)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
PubChem CID118062246
Molecular FormulaC22H21F2N5O2
Molecular Weight425.44 g/mol
Exact Mass425.17
IUPAC Name2-(3-fluorophenyl)-3-N-[2-(4-fluorophenyl)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESNC(=O)N1CCn2nc(-c3cccc(F)c3)c(C(=O)NCCc3ccc(F)cc3)c2C1
InChIInChI=1S/C22H21F2N5O2/c23-16-6-4-14(5-7-16)8-9-26-21(30)19-18-13-28(22(25)31)10-11-29(18)27-20(19)15-2-1-3-17(24)12-15/h1-7,12H,8-11,13H2,(H2,25,31)(H,26,30)
InChIKeyWNIQMNIFQNGXLE-UHFFFAOYSA-N
XLogP2.70
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.44
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-3-N-[2-(4-fluorophenyl)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The IUPAC name of 2-(3-fluorophenyl)-3-N-[2-(4-fluorophenyl)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (CID 118062246) is 2-(3-fluorophenyl)-3-N-[2-(4-fluorophenyl)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide.
What is the SMILES notation for 2-(3-fluorophenyl)-3-N-[2-(4-fluorophenyl)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The canonical SMILES for 2-(3-fluorophenyl)-3-N-[2-(4-fluorophenyl)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is NC(=O)N1CCn2nc(-c3cccc(F)c3)c(C(=O)NCCc3ccc(F)cc3)c2C1.
What is the InChIKey of 2-(3-fluorophenyl)-3-N-[2-(4-fluorophenyl)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The InChIKey is WNIQMNIFQNGXLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F2N5O2/c23-16-6-4-14(5-7-16)8-9-26-21(30)19-18-13-28(22(25)31)10-11-29(18)27-20(19)15-2-1-3-17(24)12-15/h1-7,12H,8-11,13H2,(H2,25,31)(H,26,30).
What are the key properties of 2-(3-fluorophenyl)-3-N-[2-(4-fluorophenyl)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
2-(3-fluorophenyl)-3-N-[2-(4-fluorophenyl)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide has a molecular weight of 425.44 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-3-N-[2-(4-fluorophenyl)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is sourced from PubChem (CID 118062246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).