2-(3-chloro-4-fluorophenyl)-5-N-[4-(fluoromethyl)-1-bicyclo[2.2.2]octanyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide

C23H26ClF2N5O2 — CID 118062315

About 2-(3-chloro-4-fluorophenyl)-5-N-[4-(fluoromethyl)-1-bicyclo[2.2.2]octanyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide

2-(3-chloro-4-fluorophenyl)-5-N-[4-(fluoromethyl)-1-bicyclo[2.2.2]octanyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (PubChem CID 118062315) has the molecular formula C23H26ClF2N5O2 and a molecular weight of 477.94 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)-5-N-[4-(fluoromethyl)-1-bicyclo[2.2.2]octanyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide.

Molecular Properties

• Compound Name: 2-(3-chloro-4-fluorophenyl)-5-N-[4-(fluoromethyl)-1-bicyclo[2.2.2]octanyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
• PubChem CID: 118062315
• Molecular Formula: C23H26ClF2N5O2
• Molecular Weight: 477.94 g/mol
• Exact Mass: 477.17
• IUPAC Name: 2-(3-chloro-4-fluorophenyl)-5-N-[4-(fluoromethyl)-1-bicyclo[2.2.2]octanyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
• SMILES: NC(=O)c1c(-c2ccc(F)c(Cl)c2)nn2c1CN(C(=O)NC13CCC(CF)(CC1)CC3)CC2
• InChI: InChI=1S/C23H26ClF2N5O2/c24-15-11-14(1-2-16(15)26)19-18(20(27)32)17-12-30(9-10-31(17)29-19)21(33)28-23-6-3-22(13-25,4-7-23)5-8-23/h1-2,11H,3-10,12-13H2,(H2,27,32)(H,28,33)
• InChIKey: WPRRKJMKLBEYEG-UHFFFAOYSA-N
• XLogP: 4.03
• TPSA: 93.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	477.94
LogP ≤ 5	4.03
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)-5-N-[4-(fluoromethyl)-1-bicyclo[2.2.2]octanyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?

The IUPAC name of 2-(3-chloro-4-fluorophenyl)-5-N-[4-(fluoromethyl)-1-bicyclo[2.2.2]octanyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (CID 118062315) is 2-(3-chloro-4-fluorophenyl)-5-N-[4-(fluoromethyl)-1-bicyclo[2.2.2]octanyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide.

What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)-5-N-[4-(fluoromethyl)-1-bicyclo[2.2.2]octanyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?

The canonical SMILES for 2-(3-chloro-4-fluorophenyl)-5-N-[4-(fluoromethyl)-1-bicyclo[2.2.2]octanyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is NC(=O)c1c(-c2ccc(F)c(Cl)c2)nn2c1CN(C(=O)NC13CCC(CF)(CC1)CC3)CC2.

What is the InChIKey of 2-(3-chloro-4-fluorophenyl)-5-N-[4-(fluoromethyl)-1-bicyclo[2.2.2]octanyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?

The InChIKey is WPRRKJMKLBEYEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClF2N5O2/c24-15-11-14(1-2-16(15)26)19-18(20(27)32)17-12-30(9-10-31(17)29-19)21(33)28-23-6-3-22(13-25,4-7-23)5-8-23/h1-2,11H,3-10,12-13H2,(H2,27,32)(H,28,33).

What are the key properties of 2-(3-chloro-4-fluorophenyl)-5-N-[4-(fluoromethyl)-1-bicyclo[2.2.2]octanyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?

2-(3-chloro-4-fluorophenyl)-5-N-[4-(fluoromethyl)-1-bicyclo[2.2.2]octanyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide has a molecular weight of 477.94 g/mol, XLogP of 4.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-chloro-4-fluorophenyl)-5-N-[4-(fluoromethyl)-1-bicyclo[2.2.2]octanyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is sourced from PubChem (CID 118062315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).