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

C20H17ClFN5O2 — CID 118062160

IUPAC2-(3-chlorophenyl)-5-N-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESNC(=O)c1c(-c2cccc(Cl)c2)nn2c1CN(C(=O)Nc1ccc(F)cc1)CC2
InChIInChI=1S/C20H17ClFN5O2/c21-13-3-1-2-12(10-13)18-17(19(23)28)16-11-26(8-9-27(16)25-18)20(29)24-15-6-4-14(22)5-7-15/h1-7,10H,8-9,11H2,(H2,23,28)(H,24,29)
InChIKeyVQFUQLXFYRTQDA-UHFFFAOYSA-N
MW413.84 g/mol
LogP3.49
Rot. Bonds3

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

2-(3-chlorophenyl)-5-N-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (PubChem CID 118062160) has the molecular formula C20H17ClFN5O2 and a molecular weight of 413.84 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-5-N-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-5-N-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
PubChem CID118062160
Molecular FormulaC20H17ClFN5O2
Molecular Weight413.84 g/mol
Exact Mass413.11
IUPAC Name2-(3-chlorophenyl)-5-N-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESNC(=O)c1c(-c2cccc(Cl)c2)nn2c1CN(C(=O)Nc1ccc(F)cc1)CC2
InChIInChI=1S/C20H17ClFN5O2/c21-13-3-1-2-12(10-13)18-17(19(23)28)16-11-26(8-9-27(16)25-18)20(29)24-15-6-4-14(22)5-7-15/h1-7,10H,8-9,11H2,(H2,23,28)(H,24,29)
InChIKeyVQFUQLXFYRTQDA-UHFFFAOYSA-N
XLogP3.49
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.84
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-5-N-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The IUPAC name of 2-(3-chlorophenyl)-5-N-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (CID 118062160) is 2-(3-chlorophenyl)-5-N-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide.
What is the SMILES notation for 2-(3-chlorophenyl)-5-N-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The canonical SMILES for 2-(3-chlorophenyl)-5-N-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is NC(=O)c1c(-c2cccc(Cl)c2)nn2c1CN(C(=O)Nc1ccc(F)cc1)CC2.
What is the InChIKey of 2-(3-chlorophenyl)-5-N-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The InChIKey is VQFUQLXFYRTQDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClFN5O2/c21-13-3-1-2-12(10-13)18-17(19(23)28)16-11-26(8-9-27(16)25-18)20(29)24-15-6-4-14(22)5-7-15/h1-7,10H,8-9,11H2,(H2,23,28)(H,24,29).
What are the key properties of 2-(3-chlorophenyl)-5-N-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
2-(3-chlorophenyl)-5-N-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide has a molecular weight of 413.84 g/mol, XLogP of 3.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-5-N-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is sourced from PubChem (CID 118062160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).