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

C17H20FN5O2 — CID 118069143

IUPAC2-(3-fluorophenyl)-5-N-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESCC(C)NC(=O)N1CCn2nc(-c3cccc(F)c3)c(C(N)=O)c2C1
InChIInChI=1S/C17H20FN5O2/c1-10(2)20-17(25)22-6-7-23-13(9-22)14(16(19)24)15(21-23)11-4-3-5-12(18)8-11/h3-5,8,10H,6-7,9H2,1-2H3,(H2,19,24)(H,20,25)
InChIKeyZEAULKTYQMPQPH-UHFFFAOYSA-N
MW345.38 g/mol
LogP1.72
Rot. Bonds3

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

2-(3-fluorophenyl)-5-N-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (PubChem CID 118069143) has the molecular formula C17H20FN5O2 and a molecular weight of 345.38 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-5-N-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide.

Molecular Properties

Compound Name2-(3-fluorophenyl)-5-N-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
PubChem CID118069143
Molecular FormulaC17H20FN5O2
Molecular Weight345.38 g/mol
Exact Mass345.16
IUPAC Name2-(3-fluorophenyl)-5-N-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESCC(C)NC(=O)N1CCn2nc(-c3cccc(F)c3)c(C(N)=O)c2C1
InChIInChI=1S/C17H20FN5O2/c1-10(2)20-17(25)22-6-7-23-13(9-22)14(16(19)24)15(21-23)11-4-3-5-12(18)8-11/h3-5,8,10H,6-7,9H2,1-2H3,(H2,19,24)(H,20,25)
InChIKeyZEAULKTYQMPQPH-UHFFFAOYSA-N
XLogP1.72
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 51.72
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-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The IUPAC name of 2-(3-fluorophenyl)-5-N-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (CID 118069143) is 2-(3-fluorophenyl)-5-N-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide.
What is the SMILES notation for 2-(3-fluorophenyl)-5-N-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The canonical SMILES for 2-(3-fluorophenyl)-5-N-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is CC(C)NC(=O)N1CCn2nc(-c3cccc(F)c3)c(C(N)=O)c2C1.
What is the InChIKey of 2-(3-fluorophenyl)-5-N-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The InChIKey is ZEAULKTYQMPQPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN5O2/c1-10(2)20-17(25)22-6-7-23-13(9-22)14(16(19)24)15(21-23)11-4-3-5-12(18)8-11/h3-5,8,10H,6-7,9H2,1-2H3,(H2,19,24)(H,20,25).
What are the key properties of 2-(3-fluorophenyl)-5-N-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
2-(3-fluorophenyl)-5-N-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide has a molecular weight of 345.38 g/mol, XLogP of 1.72, 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-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is sourced from PubChem (CID 118069143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).