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

C21H17ClF3N5O3 — CID 118061949

IUPAC2-(3-chlorophenyl)-5-N-[3-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESNC(=O)c1c(-c2cccc(Cl)c2)nn2c1CN(C(=O)Nc1cccc(OC(F)(F)F)c1)CC2
InChIInChI=1S/C21H17ClF3N5O3/c22-13-4-1-3-12(9-13)18-17(19(26)31)16-11-29(7-8-30(16)28-18)20(32)27-14-5-2-6-15(10-14)33-21(23,24)25/h1-6,9-10H,7-8,11H2,(H2,26,31)(H,27,32)
InChIKeyKOAXFBYXSPYDHK-UHFFFAOYSA-N
MW479.85 g/mol
LogP4.25
Rot. Bonds4

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

2-(3-chlorophenyl)-5-N-[3-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (PubChem CID 118061949) has the molecular formula C21H17ClF3N5O3 and a molecular weight of 479.85 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-5-N-[3-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-5-N-[3-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
PubChem CID118061949
Molecular FormulaC21H17ClF3N5O3
Molecular Weight479.85 g/mol
Exact Mass479.10
IUPAC Name2-(3-chlorophenyl)-5-N-[3-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESNC(=O)c1c(-c2cccc(Cl)c2)nn2c1CN(C(=O)Nc1cccc(OC(F)(F)F)c1)CC2
InChIInChI=1S/C21H17ClF3N5O3/c22-13-4-1-3-12(9-13)18-17(19(26)31)16-11-29(7-8-30(16)28-18)20(32)27-14-5-2-6-15(10-14)33-21(23,24)25/h1-6,9-10H,7-8,11H2,(H2,26,31)(H,27,32)
InChIKeyKOAXFBYXSPYDHK-UHFFFAOYSA-N
XLogP4.25
TPSA102.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.85
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-5-N-[3-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The IUPAC name of 2-(3-chlorophenyl)-5-N-[3-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (CID 118061949) is 2-(3-chlorophenyl)-5-N-[3-(trifluoromethoxy)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-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The canonical SMILES for 2-(3-chlorophenyl)-5-N-[3-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is NC(=O)c1c(-c2cccc(Cl)c2)nn2c1CN(C(=O)Nc1cccc(OC(F)(F)F)c1)CC2.
What is the InChIKey of 2-(3-chlorophenyl)-5-N-[3-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The InChIKey is KOAXFBYXSPYDHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClF3N5O3/c22-13-4-1-3-12(9-13)18-17(19(26)31)16-11-29(7-8-30(16)28-18)20(32)27-14-5-2-6-15(10-14)33-21(23,24)25/h1-6,9-10H,7-8,11H2,(H2,26,31)(H,27,32).
What are the key properties of 2-(3-chlorophenyl)-5-N-[3-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
2-(3-chlorophenyl)-5-N-[3-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide has a molecular weight of 479.85 g/mol, XLogP of 4.25, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-5-N-[3-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is sourced from PubChem (CID 118061949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).