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

C21H16ClF4N5O2 — CID 118062363

IUPAC2-(3-chlorophenyl)-5-N-[3-fluoro-5-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESNC(=O)c1c(-c2cccc(Cl)c2)nn2c1CN(C(=O)Nc1cc(F)cc(C(F)(F)F)c1)CC2
InChIInChI=1S/C21H16ClF4N5O2/c22-13-3-1-2-11(6-13)18-17(19(27)32)16-10-30(4-5-31(16)29-18)20(33)28-15-8-12(21(24,25)26)7-14(23)9-15/h1-3,6-9H,4-5,10H2,(H2,27,32)(H,28,33)
InChIKeyOWOAIMCJRWOYNM-UHFFFAOYSA-N
MW481.84 g/mol
LogP4.51
Rot. Bonds3

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

2-(3-chlorophenyl)-5-N-[3-fluoro-5-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (PubChem CID 118062363) has the molecular formula C21H16ClF4N5O2 and a molecular weight of 481.84 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-5-N-[3-fluoro-5-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-5-N-[3-fluoro-5-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
PubChem CID118062363
Molecular FormulaC21H16ClF4N5O2
Molecular Weight481.84 g/mol
Exact Mass481.09
IUPAC Name2-(3-chlorophenyl)-5-N-[3-fluoro-5-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESNC(=O)c1c(-c2cccc(Cl)c2)nn2c1CN(C(=O)Nc1cc(F)cc(C(F)(F)F)c1)CC2
InChIInChI=1S/C21H16ClF4N5O2/c22-13-3-1-2-11(6-13)18-17(19(27)32)16-10-30(4-5-31(16)29-18)20(33)28-15-8-12(21(24,25)26)7-14(23)9-15/h1-3,6-9H,4-5,10H2,(H2,27,32)(H,28,33)
InChIKeyOWOAIMCJRWOYNM-UHFFFAOYSA-N
XLogP4.51
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.84
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-5-N-[3-fluoro-5-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The IUPAC name of 2-(3-chlorophenyl)-5-N-[3-fluoro-5-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (CID 118062363) is 2-(3-chlorophenyl)-5-N-[3-fluoro-5-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide.
What is the SMILES notation for 2-(3-chlorophenyl)-5-N-[3-fluoro-5-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The canonical SMILES for 2-(3-chlorophenyl)-5-N-[3-fluoro-5-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is NC(=O)c1c(-c2cccc(Cl)c2)nn2c1CN(C(=O)Nc1cc(F)cc(C(F)(F)F)c1)CC2.
What is the InChIKey of 2-(3-chlorophenyl)-5-N-[3-fluoro-5-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The InChIKey is OWOAIMCJRWOYNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClF4N5O2/c22-13-3-1-2-11(6-13)18-17(19(27)32)16-10-30(4-5-31(16)29-18)20(33)28-15-8-12(21(24,25)26)7-14(23)9-15/h1-3,6-9H,4-5,10H2,(H2,27,32)(H,28,33).
What are the key properties of 2-(3-chlorophenyl)-5-N-[3-fluoro-5-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
2-(3-chlorophenyl)-5-N-[3-fluoro-5-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide has a molecular weight of 481.84 g/mol, XLogP of 4.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-5-N-[3-fluoro-5-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is sourced from PubChem (CID 118062363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).