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

C22H26ClN5 — CID 50796504

IUPAC2-(4-chlorophenyl)-4-(4-cyclohexylpiperazin-1-yl)pyrazolo[1,5-a]pyrazine
SMILESClc1ccc(-c2cc3c(N4CCN(C5CCCCC5)CC4)nccn3n2)cc1
InChIInChI=1S/C22H26ClN5/c23-18-8-6-17(7-9-18)20-16-21-22(24-10-11-28(21)25-20)27-14-12-26(13-15-27)19-4-2-1-3-5-19/h6-11,16,19H,1-5,12-15H2
InChIKeyKSKAFYAVOKNAJG-UHFFFAOYSA-N
MW395.94 g/mol
LogP4.50
Rot. Bonds3

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

2-(4-chlorophenyl)-4-(4-cyclohexylpiperazin-1-yl)pyrazolo[1,5-a]pyrazine (PubChem CID 50796504) has the molecular formula C22H26ClN5 and a molecular weight of 395.94 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-(4-cyclohexylpiperazin-1-yl)pyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4-(4-cyclohexylpiperazin-1-yl)pyrazolo[1,5-a]pyrazine
PubChem CID50796504
Molecular FormulaC22H26ClN5
Molecular Weight395.94 g/mol
Exact Mass395.19
IUPAC Name2-(4-chlorophenyl)-4-(4-cyclohexylpiperazin-1-yl)pyrazolo[1,5-a]pyrazine
SMILESClc1ccc(-c2cc3c(N4CCN(C5CCCCC5)CC4)nccn3n2)cc1
InChIInChI=1S/C22H26ClN5/c23-18-8-6-17(7-9-18)20-16-21-22(24-10-11-28(21)25-20)27-14-12-26(13-15-27)19-4-2-1-3-5-19/h6-11,16,19H,1-5,12-15H2
InChIKeyKSKAFYAVOKNAJG-UHFFFAOYSA-N
XLogP4.50
TPSA36.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.94
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4-(4-cyclohexylpiperazin-1-yl)pyrazolo[1,5-a]pyrazine?
The IUPAC name of 2-(4-chlorophenyl)-4-(4-cyclohexylpiperazin-1-yl)pyrazolo[1,5-a]pyrazine (CID 50796504) is 2-(4-chlorophenyl)-4-(4-cyclohexylpiperazin-1-yl)pyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 2-(4-chlorophenyl)-4-(4-cyclohexylpiperazin-1-yl)pyrazolo[1,5-a]pyrazine?
The canonical SMILES for 2-(4-chlorophenyl)-4-(4-cyclohexylpiperazin-1-yl)pyrazolo[1,5-a]pyrazine is Clc1ccc(-c2cc3c(N4CCN(C5CCCCC5)CC4)nccn3n2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-4-(4-cyclohexylpiperazin-1-yl)pyrazolo[1,5-a]pyrazine?
The InChIKey is KSKAFYAVOKNAJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN5/c23-18-8-6-17(7-9-18)20-16-21-22(24-10-11-28(21)25-20)27-14-12-26(13-15-27)19-4-2-1-3-5-19/h6-11,16,19H,1-5,12-15H2.
What are the key properties of 2-(4-chlorophenyl)-4-(4-cyclohexylpiperazin-1-yl)pyrazolo[1,5-a]pyrazine?
2-(4-chlorophenyl)-4-(4-cyclohexylpiperazin-1-yl)pyrazolo[1,5-a]pyrazine has a molecular weight of 395.94 g/mol, XLogP of 4.50, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-4-(4-cyclohexylpiperazin-1-yl)pyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 50796504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).