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

C24H24ClN5 — CID 53333560

IUPAC2-(4-chlorophenyl)-4-[4-(2,4-dimethylphenyl)piperazin-1-yl]pyrazolo[1,5-a]pyrazine
SMILESCc1ccc(N2CCN(c3nccn4nc(-c5ccc(Cl)cc5)cc34)CC2)c(C)c1
InChIInChI=1S/C24H24ClN5/c1-17-3-8-22(18(2)15-17)28-11-13-29(14-12-28)24-23-16-21(27-30(23)10-9-26-24)19-4-6-20(25)7-5-19/h3-10,15-16H,11-14H2,1-2H3
InChIKeyNFSBAZCGKOXQKN-UHFFFAOYSA-N
MW417.94 g/mol
LogP4.99
Rot. Bonds3

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

2-(4-chlorophenyl)-4-[4-(2,4-dimethylphenyl)piperazin-1-yl]pyrazolo[1,5-a]pyrazine (PubChem CID 53333560) has the molecular formula C24H24ClN5 and a molecular weight of 417.94 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-[4-(2,4-dimethylphenyl)piperazin-1-yl]pyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4-[4-(2,4-dimethylphenyl)piperazin-1-yl]pyrazolo[1,5-a]pyrazine
PubChem CID53333560
Molecular FormulaC24H24ClN5
Molecular Weight417.94 g/mol
Exact Mass417.17
IUPAC Name2-(4-chlorophenyl)-4-[4-(2,4-dimethylphenyl)piperazin-1-yl]pyrazolo[1,5-a]pyrazine
SMILESCc1ccc(N2CCN(c3nccn4nc(-c5ccc(Cl)cc5)cc34)CC2)c(C)c1
InChIInChI=1S/C24H24ClN5/c1-17-3-8-22(18(2)15-17)28-11-13-29(14-12-28)24-23-16-21(27-30(23)10-9-26-24)19-4-6-20(25)7-5-19/h3-10,15-16H,11-14H2,1-2H3
InChIKeyNFSBAZCGKOXQKN-UHFFFAOYSA-N
XLogP4.99
TPSA36.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.94
LogP ≤ 54.99
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-(2,4-dimethylphenyl)piperazin-1-yl]pyrazolo[1,5-a]pyrazine?
The IUPAC name of 2-(4-chlorophenyl)-4-[4-(2,4-dimethylphenyl)piperazin-1-yl]pyrazolo[1,5-a]pyrazine (CID 53333560) is 2-(4-chlorophenyl)-4-[4-(2,4-dimethylphenyl)piperazin-1-yl]pyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 2-(4-chlorophenyl)-4-[4-(2,4-dimethylphenyl)piperazin-1-yl]pyrazolo[1,5-a]pyrazine?
The canonical SMILES for 2-(4-chlorophenyl)-4-[4-(2,4-dimethylphenyl)piperazin-1-yl]pyrazolo[1,5-a]pyrazine is Cc1ccc(N2CCN(c3nccn4nc(-c5ccc(Cl)cc5)cc34)CC2)c(C)c1.
What is the InChIKey of 2-(4-chlorophenyl)-4-[4-(2,4-dimethylphenyl)piperazin-1-yl]pyrazolo[1,5-a]pyrazine?
The InChIKey is NFSBAZCGKOXQKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN5/c1-17-3-8-22(18(2)15-17)28-11-13-29(14-12-28)24-23-16-21(27-30(23)10-9-26-24)19-4-6-20(25)7-5-19/h3-10,15-16H,11-14H2,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-4-[4-(2,4-dimethylphenyl)piperazin-1-yl]pyrazolo[1,5-a]pyrazine?
2-(4-chlorophenyl)-4-[4-(2,4-dimethylphenyl)piperazin-1-yl]pyrazolo[1,5-a]pyrazine has a molecular weight of 417.94 g/mol, XLogP of 4.99, 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-(2,4-dimethylphenyl)piperazin-1-yl]pyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 53333560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).