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

C23H23F2N5O2 — CID 118061674

IUPAC2-(3-fluorophenyl)-5-N-[2-(4-fluorophenyl)propan-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESCC(C)(NC(=O)N1CCn2nc(-c3cccc(F)c3)c(C(N)=O)c2C1)c1ccc(F)cc1
InChIInChI=1S/C23H23F2N5O2/c1-23(2,15-6-8-16(24)9-7-15)27-22(32)29-10-11-30-18(13-29)19(21(26)31)20(28-30)14-4-3-5-17(25)12-14/h3-9,12H,10-11,13H2,1-2H3,(H2,26,31)(H,27,32)
InChIKeyWSCRFMIBDMSQFV-UHFFFAOYSA-N
MW439.47 g/mol
LogP3.39
Rot. Bonds4

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

2-(3-fluorophenyl)-5-N-[2-(4-fluorophenyl)propan-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (PubChem CID 118061674) has the molecular formula C23H23F2N5O2 and a molecular weight of 439.47 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-5-N-[2-(4-fluorophenyl)propan-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide.

Molecular Properties

Compound Name2-(3-fluorophenyl)-5-N-[2-(4-fluorophenyl)propan-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
PubChem CID118061674
Molecular FormulaC23H23F2N5O2
Molecular Weight439.47 g/mol
Exact Mass439.18
IUPAC Name2-(3-fluorophenyl)-5-N-[2-(4-fluorophenyl)propan-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESCC(C)(NC(=O)N1CCn2nc(-c3cccc(F)c3)c(C(N)=O)c2C1)c1ccc(F)cc1
InChIInChI=1S/C23H23F2N5O2/c1-23(2,15-6-8-16(24)9-7-15)27-22(32)29-10-11-30-18(13-29)19(21(26)31)20(28-30)14-4-3-5-17(25)12-14/h3-9,12H,10-11,13H2,1-2H3,(H2,26,31)(H,27,32)
InChIKeyWSCRFMIBDMSQFV-UHFFFAOYSA-N
XLogP3.39
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.47
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-5-N-[2-(4-fluorophenyl)propan-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The IUPAC name of 2-(3-fluorophenyl)-5-N-[2-(4-fluorophenyl)propan-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (CID 118061674) is 2-(3-fluorophenyl)-5-N-[2-(4-fluorophenyl)propan-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide.
What is the SMILES notation for 2-(3-fluorophenyl)-5-N-[2-(4-fluorophenyl)propan-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The canonical SMILES for 2-(3-fluorophenyl)-5-N-[2-(4-fluorophenyl)propan-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is CC(C)(NC(=O)N1CCn2nc(-c3cccc(F)c3)c(C(N)=O)c2C1)c1ccc(F)cc1.
What is the InChIKey of 2-(3-fluorophenyl)-5-N-[2-(4-fluorophenyl)propan-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The InChIKey is WSCRFMIBDMSQFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F2N5O2/c1-23(2,15-6-8-16(24)9-7-15)27-22(32)29-10-11-30-18(13-29)19(21(26)31)20(28-30)14-4-3-5-17(25)12-14/h3-9,12H,10-11,13H2,1-2H3,(H2,26,31)(H,27,32).
What are the key properties of 2-(3-fluorophenyl)-5-N-[2-(4-fluorophenyl)propan-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
2-(3-fluorophenyl)-5-N-[2-(4-fluorophenyl)propan-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide has a molecular weight of 439.47 g/mol, XLogP of 3.39, 4 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-[2-(4-fluorophenyl)propan-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is sourced from PubChem (CID 118061674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).