2-(4-chlorophenyl)-4-[4-(2-ethoxyphenyl)piperazin-1-yl]pyrazolo[1,5-a]pyrazine

C24H24ClN5O — CID 50796496

IUPAC2-(4-chlorophenyl)-4-[4-(2-ethoxyphenyl)piperazin-1-yl]pyrazolo[1,5-a]pyrazine
SMILESCCOc1ccccc1N1CCN(c2nccn3nc(-c4ccc(Cl)cc4)cc23)CC1
InChIInChI=1S/C24H24ClN5O/c1-2-31-23-6-4-3-5-21(23)28-13-15-29(16-14-28)24-22-17-20(27-30(22)12-11-26-24)18-7-9-19(25)10-8-18/h3-12,17H,2,13-16H2,1H3
InChIKeyMUUIFWBKICGHRW-UHFFFAOYSA-N
MW433.94 g/mol
LogP4.78
Rot. Bonds5

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

2-(4-chlorophenyl)-4-[4-(2-ethoxyphenyl)piperazin-1-yl]pyrazolo[1,5-a]pyrazine (PubChem CID 50796496) has the molecular formula C24H24ClN5O and a molecular weight of 433.94 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-[4-(2-ethoxyphenyl)piperazin-1-yl]pyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4-[4-(2-ethoxyphenyl)piperazin-1-yl]pyrazolo[1,5-a]pyrazine
PubChem CID50796496
Molecular FormulaC24H24ClN5O
Molecular Weight433.94 g/mol
Exact Mass433.17
IUPAC Name2-(4-chlorophenyl)-4-[4-(2-ethoxyphenyl)piperazin-1-yl]pyrazolo[1,5-a]pyrazine
SMILESCCOc1ccccc1N1CCN(c2nccn3nc(-c4ccc(Cl)cc4)cc23)CC1
InChIInChI=1S/C24H24ClN5O/c1-2-31-23-6-4-3-5-21(23)28-13-15-29(16-14-28)24-22-17-20(27-30(22)12-11-26-24)18-7-9-19(25)10-8-18/h3-12,17H,2,13-16H2,1H3
InChIKeyMUUIFWBKICGHRW-UHFFFAOYSA-N
XLogP4.78
TPSA45.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.94
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-(4-chlorophenyl)pyrazolo[1,5-a]pyrazine
CID 53333566
2-(4-chlorophenyl)-4-[4-(2,4-dimethylphenyl)piperazin-1-yl]pyrazolo[1,5-a]pyrazine
CID 53333560
2-(4-chlorophenyl)-4-(4-propan-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrazine
CID 50796500
4-(4-benzhydrylpiperazin-1-yl)-2-(4-chlorophenyl)pyrazolo[1,5-a]pyrazine
CID 53333556
4-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]thiomorpholine
CID 53333553
2-(4-butoxyphenyl)-4-[4-(3-chlorophenyl)piperazin-1-yl]pyrazolo[1,5-a]pyrazine
CID 45499247
4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylpyrazolo[1,5-a]pyrazine
CID 133487895
1-[2-(4-ethoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-4-carboxylic acid
CID 46507058
4-piperazin-1-yl-2-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrazine
CID 56770899
4-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]morpholine
CID 53333624
2-(3,4-dimethoxyphenyl)-4-piperidin-1-ylpyrazolo[1,5-a]pyrazine
CID 53333719
4-(4-benzylpiperidin-1-yl)-2-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrazine
CID 53333721

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4-[4-(2-ethoxyphenyl)piperazin-1-yl]pyrazolo[1,5-a]pyrazine?
The IUPAC name of 2-(4-chlorophenyl)-4-[4-(2-ethoxyphenyl)piperazin-1-yl]pyrazolo[1,5-a]pyrazine (CID 50796496) is 2-(4-chlorophenyl)-4-[4-(2-ethoxyphenyl)piperazin-1-yl]pyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 2-(4-chlorophenyl)-4-[4-(2-ethoxyphenyl)piperazin-1-yl]pyrazolo[1,5-a]pyrazine?
The canonical SMILES for 2-(4-chlorophenyl)-4-[4-(2-ethoxyphenyl)piperazin-1-yl]pyrazolo[1,5-a]pyrazine is CCOc1ccccc1N1CCN(c2nccn3nc(-c4ccc(Cl)cc4)cc23)CC1.
What is the InChIKey of 2-(4-chlorophenyl)-4-[4-(2-ethoxyphenyl)piperazin-1-yl]pyrazolo[1,5-a]pyrazine?
The InChIKey is MUUIFWBKICGHRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN5O/c1-2-31-23-6-4-3-5-21(23)28-13-15-29(16-14-28)24-22-17-20(27-30(22)12-11-26-24)18-7-9-19(25)10-8-18/h3-12,17H,2,13-16H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-4-[4-(2-ethoxyphenyl)piperazin-1-yl]pyrazolo[1,5-a]pyrazine?
2-(4-chlorophenyl)-4-[4-(2-ethoxyphenyl)piperazin-1-yl]pyrazolo[1,5-a]pyrazine has a molecular weight of 433.94 g/mol, XLogP of 4.78, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-4-[4-(2-ethoxyphenyl)piperazin-1-yl]pyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 50796496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).