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

C17H17F4N5O2 — CID 118062158

IUPAC2-(3-fluorophenyl)-5-N-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESNC(=O)c1c(-c2cccc(F)c2)nn2c1CN(C(=O)NCCC(F)(F)F)CC2
InChIInChI=1S/C17H17F4N5O2/c18-11-3-1-2-10(8-11)14-13(15(22)27)12-9-25(6-7-26(12)24-14)16(28)23-5-4-17(19,20)21/h1-3,8H,4-7,9H2,(H2,22,27)(H,23,28)
InChIKeyUCXBBUGRJALDDA-UHFFFAOYSA-N
MW399.35 g/mol
LogP2.27
Rot. Bonds4

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

2-(3-fluorophenyl)-5-N-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (PubChem CID 118062158) has the molecular formula C17H17F4N5O2 and a molecular weight of 399.35 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-5-N-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide.

Molecular Properties

Compound Name2-(3-fluorophenyl)-5-N-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
PubChem CID118062158
Molecular FormulaC17H17F4N5O2
Molecular Weight399.35 g/mol
Exact Mass399.13
IUPAC Name2-(3-fluorophenyl)-5-N-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESNC(=O)c1c(-c2cccc(F)c2)nn2c1CN(C(=O)NCCC(F)(F)F)CC2
InChIInChI=1S/C17H17F4N5O2/c18-11-3-1-2-10(8-11)14-13(15(22)27)12-9-25(6-7-26(12)24-14)16(28)23-5-4-17(19,20)21/h1-3,8H,4-7,9H2,(H2,22,27)(H,23,28)
InChIKeyUCXBBUGRJALDDA-UHFFFAOYSA-N
XLogP2.27
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.35
LogP ≤ 52.27
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-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The IUPAC name of 2-(3-fluorophenyl)-5-N-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (CID 118062158) is 2-(3-fluorophenyl)-5-N-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide.
What is the SMILES notation for 2-(3-fluorophenyl)-5-N-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The canonical SMILES for 2-(3-fluorophenyl)-5-N-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is NC(=O)c1c(-c2cccc(F)c2)nn2c1CN(C(=O)NCCC(F)(F)F)CC2.
What is the InChIKey of 2-(3-fluorophenyl)-5-N-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The InChIKey is UCXBBUGRJALDDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F4N5O2/c18-11-3-1-2-10(8-11)14-13(15(22)27)12-9-25(6-7-26(12)24-14)16(28)23-5-4-17(19,20)21/h1-3,8H,4-7,9H2,(H2,22,27)(H,23,28).
What are the key properties of 2-(3-fluorophenyl)-5-N-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
2-(3-fluorophenyl)-5-N-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide has a molecular weight of 399.35 g/mol, XLogP of 2.27, 4 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-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is sourced from PubChem (CID 118062158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).