2-(4-bromophenyl)-4-[4-(2-fluorophenyl)piperazin-1-yl]pyrazolo[1,5-a]pyrazine

C22H19BrFN5 — CID 15988383

IUPAC2-(4-bromophenyl)-4-[4-(2-fluorophenyl)piperazin-1-yl]pyrazolo[1,5-a]pyrazine
SMILESFc1ccccc1N1CCN(c2nccn3nc(-c4ccc(Br)cc4)cc23)CC1
InChIInChI=1S/C22H19BrFN5/c23-17-7-5-16(6-8-17)19-15-21-22(25-9-10-29(21)26-19)28-13-11-27(12-14-28)20-4-2-1-3-18(20)24/h1-10,15H,11-14H2
InChIKeyHQPDALVLGLOBBI-UHFFFAOYSA-N
MW452.33 g/mol
LogP4.62
Rot. Bonds3

About 2-(4-bromophenyl)-4-[4-(2-fluorophenyl)piperazin-1-yl]pyrazolo[1,5-a]pyrazine

2-(4-bromophenyl)-4-[4-(2-fluorophenyl)piperazin-1-yl]pyrazolo[1,5-a]pyrazine (PubChem CID 15988383) has the molecular formula C22H19BrFN5 and a molecular weight of 452.33 g/mol. Its IUPAC name is 2-(4-bromophenyl)-4-[4-(2-fluorophenyl)piperazin-1-yl]pyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name2-(4-bromophenyl)-4-[4-(2-fluorophenyl)piperazin-1-yl]pyrazolo[1,5-a]pyrazine
PubChem CID15988383
Molecular FormulaC22H19BrFN5
Molecular Weight452.33 g/mol
Exact Mass451.08
IUPAC Name2-(4-bromophenyl)-4-[4-(2-fluorophenyl)piperazin-1-yl]pyrazolo[1,5-a]pyrazine
SMILESFc1ccccc1N1CCN(c2nccn3nc(-c4ccc(Br)cc4)cc23)CC1
InChIInChI=1S/C22H19BrFN5/c23-17-7-5-16(6-8-17)19-15-21-22(25-9-10-29(21)26-19)28-13-11-27(12-14-28)20-4-2-1-3-18(20)24/h1-10,15H,11-14H2
InChIKeyHQPDALVLGLOBBI-UHFFFAOYSA-N
XLogP4.62
TPSA36.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.33
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-4-[4-(2-fluorophenyl)piperazin-1-yl]pyrazolo[1,5-a]pyrazine?
The IUPAC name of 2-(4-bromophenyl)-4-[4-(2-fluorophenyl)piperazin-1-yl]pyrazolo[1,5-a]pyrazine (CID 15988383) is 2-(4-bromophenyl)-4-[4-(2-fluorophenyl)piperazin-1-yl]pyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 2-(4-bromophenyl)-4-[4-(2-fluorophenyl)piperazin-1-yl]pyrazolo[1,5-a]pyrazine?
The canonical SMILES for 2-(4-bromophenyl)-4-[4-(2-fluorophenyl)piperazin-1-yl]pyrazolo[1,5-a]pyrazine is Fc1ccccc1N1CCN(c2nccn3nc(-c4ccc(Br)cc4)cc23)CC1.
What is the InChIKey of 2-(4-bromophenyl)-4-[4-(2-fluorophenyl)piperazin-1-yl]pyrazolo[1,5-a]pyrazine?
The InChIKey is HQPDALVLGLOBBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19BrFN5/c23-17-7-5-16(6-8-17)19-15-21-22(25-9-10-29(21)26-19)28-13-11-27(12-14-28)20-4-2-1-3-18(20)24/h1-10,15H,11-14H2.
What are the key properties of 2-(4-bromophenyl)-4-[4-(2-fluorophenyl)piperazin-1-yl]pyrazolo[1,5-a]pyrazine?
2-(4-bromophenyl)-4-[4-(2-fluorophenyl)piperazin-1-yl]pyrazolo[1,5-a]pyrazine has a molecular weight of 452.33 g/mol, XLogP of 4.62, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-4-[4-(2-fluorophenyl)piperazin-1-yl]pyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 15988383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).