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

C21H17F4N5O2 — CID 118061946

IUPAC2-(3-fluorophenyl)-5-N-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESNC(=O)c1c(-c2cccc(F)c2)nn2c1CN(C(=O)Nc1ccc(C(F)(F)F)cc1)CC2
InChIInChI=1S/C21H17F4N5O2/c22-14-3-1-2-12(10-14)18-17(19(26)31)16-11-29(8-9-30(16)28-18)20(32)27-15-6-4-13(5-7-15)21(23,24)25/h1-7,10H,8-9,11H2,(H2,26,31)(H,27,32)
InChIKeyXMOYYGJKQYQYCB-UHFFFAOYSA-N
MW447.39 g/mol
LogP3.85
Rot. Bonds3

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

2-(3-fluorophenyl)-5-N-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (PubChem CID 118061946) has the molecular formula C21H17F4N5O2 and a molecular weight of 447.39 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-5-N-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide.

Molecular Properties

Compound Name2-(3-fluorophenyl)-5-N-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
PubChem CID118061946
Molecular FormulaC21H17F4N5O2
Molecular Weight447.39 g/mol
Exact Mass447.13
IUPAC Name2-(3-fluorophenyl)-5-N-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESNC(=O)c1c(-c2cccc(F)c2)nn2c1CN(C(=O)Nc1ccc(C(F)(F)F)cc1)CC2
InChIInChI=1S/C21H17F4N5O2/c22-14-3-1-2-12(10-14)18-17(19(26)31)16-11-29(8-9-30(16)28-18)20(32)27-15-6-4-13(5-7-15)21(23,24)25/h1-7,10H,8-9,11H2,(H2,26,31)(H,27,32)
InChIKeyXMOYYGJKQYQYCB-UHFFFAOYSA-N
XLogP3.85
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.39
LogP ≤ 53.85
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-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The IUPAC name of 2-(3-fluorophenyl)-5-N-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (CID 118061946) is 2-(3-fluorophenyl)-5-N-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide.
What is the SMILES notation for 2-(3-fluorophenyl)-5-N-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The canonical SMILES for 2-(3-fluorophenyl)-5-N-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is NC(=O)c1c(-c2cccc(F)c2)nn2c1CN(C(=O)Nc1ccc(C(F)(F)F)cc1)CC2.
What is the InChIKey of 2-(3-fluorophenyl)-5-N-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The InChIKey is XMOYYGJKQYQYCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F4N5O2/c22-14-3-1-2-12(10-14)18-17(19(26)31)16-11-29(8-9-30(16)28-18)20(32)27-15-6-4-13(5-7-15)21(23,24)25/h1-7,10H,8-9,11H2,(H2,26,31)(H,27,32).
What are the key properties of 2-(3-fluorophenyl)-5-N-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
2-(3-fluorophenyl)-5-N-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide has a molecular weight of 447.39 g/mol, XLogP of 3.85, 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-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is sourced from PubChem (CID 118061946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).