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

C21H18F3N5O3 — CID 118071121

IUPAC5-N-[4-(difluoromethoxy)phenyl]-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESNC(=O)c1c(-c2cccc(F)c2)nn2c1CN(C(=O)Nc1ccc(OC(F)F)cc1)CC2
InChIInChI=1S/C21H18F3N5O3/c22-13-3-1-2-12(10-13)18-17(19(25)30)16-11-28(8-9-29(16)27-18)21(31)26-14-4-6-15(7-5-14)32-20(23)24/h1-7,10,20H,8-9,11H2,(H2,25,30)(H,26,31)
InChIKeyCCCQHLPMMGAOMG-UHFFFAOYSA-N
MW445.40 g/mol
LogP3.44
Rot. Bonds5

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

5-N-[4-(difluoromethoxy)phenyl]-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (PubChem CID 118071121) has the molecular formula C21H18F3N5O3 and a molecular weight of 445.40 g/mol. Its IUPAC name is 5-N-[4-(difluoromethoxy)phenyl]-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-[4-(difluoromethoxy)phenyl]-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
PubChem CID118071121
Molecular FormulaC21H18F3N5O3
Molecular Weight445.40 g/mol
Exact Mass445.14
IUPAC Name5-N-[4-(difluoromethoxy)phenyl]-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESNC(=O)c1c(-c2cccc(F)c2)nn2c1CN(C(=O)Nc1ccc(OC(F)F)cc1)CC2
InChIInChI=1S/C21H18F3N5O3/c22-13-3-1-2-12(10-13)18-17(19(25)30)16-11-28(8-9-29(16)27-18)21(31)26-14-4-6-15(7-5-14)32-20(23)24/h1-7,10,20H,8-9,11H2,(H2,25,30)(H,26,31)
InChIKeyCCCQHLPMMGAOMG-UHFFFAOYSA-N
XLogP3.44
TPSA102.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.40
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-N-[4-(difluoromethoxy)phenyl]-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The IUPAC name of 5-N-[4-(difluoromethoxy)phenyl]-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (CID 118071121) is 5-N-[4-(difluoromethoxy)phenyl]-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide.
What is the SMILES notation for 5-N-[4-(difluoromethoxy)phenyl]-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The canonical SMILES for 5-N-[4-(difluoromethoxy)phenyl]-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is NC(=O)c1c(-c2cccc(F)c2)nn2c1CN(C(=O)Nc1ccc(OC(F)F)cc1)CC2.
What is the InChIKey of 5-N-[4-(difluoromethoxy)phenyl]-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The InChIKey is CCCQHLPMMGAOMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3N5O3/c22-13-3-1-2-12(10-13)18-17(19(25)30)16-11-28(8-9-29(16)27-18)21(31)26-14-4-6-15(7-5-14)32-20(23)24/h1-7,10,20H,8-9,11H2,(H2,25,30)(H,26,31).
What are the key properties of 5-N-[4-(difluoromethoxy)phenyl]-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
5-N-[4-(difluoromethoxy)phenyl]-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide has a molecular weight of 445.40 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[4-(difluoromethoxy)phenyl]-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is sourced from PubChem (CID 118071121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).