4-tert-butyl-2-(3,5-difluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide

C18H21F2N5O2 — CID 118061291

IUPAC4-tert-butyl-2-(3,5-difluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESCC(C)(C)C1c2c(C(N)=O)c(-c3cc(F)cc(F)c3)nn2CCN1C(N)=O
InChIInChI=1S/C18H21F2N5O2/c1-18(2,3)15-14-12(16(21)26)13(9-6-10(19)8-11(20)7-9)23-25(14)5-4-24(15)17(22)27/h6-8,15H,4-5H2,1-3H3,(H2,21,26)(H2,22,27)
InChIKeyRAVQLZDLJLHHRI-UHFFFAOYSA-N
MW377.40 g/mol
LogP2.41
Rot. Bonds2

About 4-tert-butyl-2-(3,5-difluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide

4-tert-butyl-2-(3,5-difluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (PubChem CID 118061291) has the molecular formula C18H21F2N5O2 and a molecular weight of 377.40 g/mol. Its IUPAC name is 4-tert-butyl-2-(3,5-difluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide.

Molecular Properties

Compound Name4-tert-butyl-2-(3,5-difluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
PubChem CID118061291
Molecular FormulaC18H21F2N5O2
Molecular Weight377.40 g/mol
Exact Mass377.17
IUPAC Name4-tert-butyl-2-(3,5-difluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESCC(C)(C)C1c2c(C(N)=O)c(-c3cc(F)cc(F)c3)nn2CCN1C(N)=O
InChIInChI=1S/C18H21F2N5O2/c1-18(2,3)15-14-12(16(21)26)13(9-6-10(19)8-11(20)7-9)23-25(14)5-4-24(15)17(22)27/h6-8,15H,4-5H2,1-3H3,(H2,21,26)(H2,22,27)
InChIKeyRAVQLZDLJLHHRI-UHFFFAOYSA-N
XLogP2.41
TPSA107.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-(3,5-difluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The IUPAC name of 4-tert-butyl-2-(3,5-difluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (CID 118061291) is 4-tert-butyl-2-(3,5-difluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide.
What is the SMILES notation for 4-tert-butyl-2-(3,5-difluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The canonical SMILES for 4-tert-butyl-2-(3,5-difluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is CC(C)(C)C1c2c(C(N)=O)c(-c3cc(F)cc(F)c3)nn2CCN1C(N)=O.
What is the InChIKey of 4-tert-butyl-2-(3,5-difluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The InChIKey is RAVQLZDLJLHHRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N5O2/c1-18(2,3)15-14-12(16(21)26)13(9-6-10(19)8-11(20)7-9)23-25(14)5-4-24(15)17(22)27/h6-8,15H,4-5H2,1-3H3,(H2,21,26)(H2,22,27).
What are the key properties of 4-tert-butyl-2-(3,5-difluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
4-tert-butyl-2-(3,5-difluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide has a molecular weight of 377.40 g/mol, XLogP of 2.41, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-(3,5-difluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is sourced from PubChem (CID 118061291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).