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

C22H16F7N5O2 — CID 118060743

IUPAC4-[3,5-bis(trifluoromethyl)phenyl]-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESNC(=O)c1c(-c2cccc(F)c2)nn2c1C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N(C(N)=O)CC2
InChIInChI=1S/C22H16F7N5O2/c23-14-3-1-2-10(8-14)16-15(19(30)35)18-17(33(20(31)36)4-5-34(18)32-16)11-6-12(21(24,25)26)9-13(7-11)22(27,28)29/h1-3,6-9,17H,4-5H2,(H2,30,35)(H2,31,36)
InChIKeyYVCGADRYWAIVFQ-UHFFFAOYSA-N
MW515.39 g/mol
LogP4.31
Rot. Bonds3

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

4-[3,5-bis(trifluoromethyl)phenyl]-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (PubChem CID 118060743) has the molecular formula C22H16F7N5O2 and a molecular weight of 515.39 g/mol. Its IUPAC name is 4-[3,5-bis(trifluoromethyl)phenyl]-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide.

Molecular Properties

Compound Name4-[3,5-bis(trifluoromethyl)phenyl]-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
PubChem CID118060743
Molecular FormulaC22H16F7N5O2
Molecular Weight515.39 g/mol
Exact Mass515.12
IUPAC Name4-[3,5-bis(trifluoromethyl)phenyl]-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESNC(=O)c1c(-c2cccc(F)c2)nn2c1C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N(C(N)=O)CC2
InChIInChI=1S/C22H16F7N5O2/c23-14-3-1-2-10(8-14)16-15(19(30)35)18-17(33(20(31)36)4-5-34(18)32-16)11-6-12(21(24,25)26)9-13(7-11)22(27,28)29/h1-3,6-9,17H,4-5H2,(H2,30,35)(H2,31,36)
InChIKeyYVCGADRYWAIVFQ-UHFFFAOYSA-N
XLogP4.31
TPSA107.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.39
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-cyclobutyl-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 118062431
4-(4,4-difluorocyclohexyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 118062433
4-[4-(difluoromethyl)-1-bicyclo[2.2.2]octanyl]-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 118062205
5-N-[3,5-bis(trifluoromethyl)phenyl]-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 118087150
3-N-[3,5-bis(trifluoromethyl)phenyl]-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 118060741
4-tert-butyl-2-[3-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 118061783
4-(4-cyanophenyl)-2-[3-(dimethylcarbamoyl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 122639745
4-(3-chloro-4-cyanophenyl)-2-(3,5-dichloro-4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 122639858
2-(3-chlorophenyl)-4-(4-fluorocuban-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 118062763
2-(3-chloro-4-fluorophenyl)-4-(4-fluorocuban-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 118062623
4-(3-chloro-4-cyanophenyl)-2-[3-chloro-5-(dimethylamino)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 122639844
2-(3-fluorophenyl)-5-N-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 118062371

Frequently Asked Questions

What is the IUPAC name of 4-[3,5-bis(trifluoromethyl)phenyl]-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The IUPAC name of 4-[3,5-bis(trifluoromethyl)phenyl]-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (CID 118060743) is 4-[3,5-bis(trifluoromethyl)phenyl]-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide.
What is the SMILES notation for 4-[3,5-bis(trifluoromethyl)phenyl]-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The canonical SMILES for 4-[3,5-bis(trifluoromethyl)phenyl]-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is NC(=O)c1c(-c2cccc(F)c2)nn2c1C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N(C(N)=O)CC2.
What is the InChIKey of 4-[3,5-bis(trifluoromethyl)phenyl]-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The InChIKey is YVCGADRYWAIVFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F7N5O2/c23-14-3-1-2-10(8-14)16-15(19(30)35)18-17(33(20(31)36)4-5-34(18)32-16)11-6-12(21(24,25)26)9-13(7-11)22(27,28)29/h1-3,6-9,17H,4-5H2,(H2,30,35)(H2,31,36).
What are the key properties of 4-[3,5-bis(trifluoromethyl)phenyl]-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
4-[3,5-bis(trifluoromethyl)phenyl]-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide has a molecular weight of 515.39 g/mol, XLogP of 4.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,5-bis(trifluoromethyl)phenyl]-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is sourced from PubChem (CID 118060743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).