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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Related Compounds

1-[(4-Chlorophenyl)methyl]-4-[4-(2-methylphenyl)-1-piperazinyl]pyrazolo[3,4-d]pyrimidine
CID 1542103
Pyrazine-Pyridine Biheteroaryl 57
CID 5330391
4-[2-(4-chlorophenyl)pyrazolo[1,5-b]pyridazin-3-yl]-N-phenylpyrimidin-2-amine
CID 6539424
Piperidinyl triazole derivative 1
CID 53497458
4-[2-(4-Chlorophenyl)-7-dimethylaminomethylimidazo[1,2-a]pyridin-3-yl]pyrimidin-2-ylamine
CID 24745380
2-{4-[(5-chloro-1-methyl-3-phenyl-1H-pyrazol-4-yl)methyl]piperazino}pyrimidine
CID 1484420
3-(4-chlorophenyl)-5-methyl-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 1835852
4-[4-[(4-Chlorophenyl)-phenylmethyl]piperazin-1-yl]-1-phenylpyrazolo[3,4-d]pyrimidine
CID 3011469
(E)-N-((3-(4-chlorophenyl)imidazo[1,5-a]pyridin-1-yl)methylene)-4-methylpiperazin-1-amine
CID 9558592
5-(1H-indazol-5-yl)-3-(4-methyl-1,4-diazepan-1-yl)pyrazin-2-amine
CID 11560302
(4-Chlorophenyl)-[5-(3-chlorophenyl)-1-methyl-[1,2,4]triazolo[4,3-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanamine
CID 23388879
n-(4-Chlorophenyl)-2-(1h-indazol-5-yl)imidazo[1,2-a]pyrimidin-3-amine
CID 25167278

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).