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

C25H27N5 — CID 53333782

IUPAC4-[4-(2,4-dimethylphenyl)piperazin-1-yl]-2-(2-methylphenyl)pyrazolo[1,5-a]pyrazine
SMILESCc1ccc(N2CCN(c3nccn4nc(-c5ccccc5C)cc34)CC2)c(C)c1
InChIInChI=1S/C25H27N5/c1-18-8-9-23(20(3)16-18)28-12-14-29(15-13-28)25-24-17-22(27-30(24)11-10-26-25)21-7-5-4-6-19(21)2/h4-11,16-17H,12-15H2,1-3H3
InChIKeySFTOWTRQZJNAPM-UHFFFAOYSA-N
MW397.53 g/mol
LogP4.65
Rot. Bonds3

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

4-[4-(2,4-dimethylphenyl)piperazin-1-yl]-2-(2-methylphenyl)pyrazolo[1,5-a]pyrazine (PubChem CID 53333782) has the molecular formula C25H27N5 and a molecular weight of 397.53 g/mol. Its IUPAC name is 4-[4-(2,4-dimethylphenyl)piperazin-1-yl]-2-(2-methylphenyl)pyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name4-[4-(2,4-dimethylphenyl)piperazin-1-yl]-2-(2-methylphenyl)pyrazolo[1,5-a]pyrazine
PubChem CID53333782
Molecular FormulaC25H27N5
Molecular Weight397.53 g/mol
Exact Mass397.23
IUPAC Name4-[4-(2,4-dimethylphenyl)piperazin-1-yl]-2-(2-methylphenyl)pyrazolo[1,5-a]pyrazine
SMILESCc1ccc(N2CCN(c3nccn4nc(-c5ccccc5C)cc34)CC2)c(C)c1
InChIInChI=1S/C25H27N5/c1-18-8-9-23(20(3)16-18)28-12-14-29(15-13-28)25-24-17-22(27-30(24)11-10-26-25)21-7-5-4-6-19(21)2/h4-11,16-17H,12-15H2,1-3H3
InChIKeySFTOWTRQZJNAPM-UHFFFAOYSA-N
XLogP4.65
TPSA36.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.53
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methylphenyl)-4-(4-phenylpiperazin-1-yl)pyrazolo[1,5-a]pyrazine
CID 53333779
2-(2-methylphenyl)-4-piperidin-1-ylpyrazolo[1,5-a]pyrazine
CID 53333761
2-(4-chlorophenyl)-4-[4-(2,4-dimethylphenyl)piperazin-1-yl]pyrazolo[1,5-a]pyrazine
CID 53333560
2-(2-methylphenyl)-4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pyrazolo[1,5-a]pyrazine
CID 53333772
4-(4-benzylpiperidin-1-yl)-2-(2-methylphenyl)pyrazolo[1,5-a]pyrazine
CID 53333763
4-(4-benzylpiperidin-1-yl)-2-(2,4-dimethylphenyl)pyrazolo[1,5-a]pyrazine
CID 53333647
2-(2,4-dimethylphenyl)-4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pyrazolo[1,5-a]pyrazine
CID 53333654
4-[2-(2-methylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]-1-(2-phenylethyl)piperazine-2,6-dione
CID 53333799
N-cyclopentyl-1-[2-(2,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-4-carboxamide
CID 53086071
ethyl (3R)-1-[2-(2-methylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-3-carboxylate
CID 95183731
4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-(4-chlorophenyl)pyrazolo[1,5-a]pyrazine
CID 53333566
1-[2-(3-methylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidin-4-ol
CID 56771070

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,4-dimethylphenyl)piperazin-1-yl]-2-(2-methylphenyl)pyrazolo[1,5-a]pyrazine?
The IUPAC name of 4-[4-(2,4-dimethylphenyl)piperazin-1-yl]-2-(2-methylphenyl)pyrazolo[1,5-a]pyrazine (CID 53333782) is 4-[4-(2,4-dimethylphenyl)piperazin-1-yl]-2-(2-methylphenyl)pyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 4-[4-(2,4-dimethylphenyl)piperazin-1-yl]-2-(2-methylphenyl)pyrazolo[1,5-a]pyrazine?
The canonical SMILES for 4-[4-(2,4-dimethylphenyl)piperazin-1-yl]-2-(2-methylphenyl)pyrazolo[1,5-a]pyrazine is Cc1ccc(N2CCN(c3nccn4nc(-c5ccccc5C)cc34)CC2)c(C)c1.
What is the InChIKey of 4-[4-(2,4-dimethylphenyl)piperazin-1-yl]-2-(2-methylphenyl)pyrazolo[1,5-a]pyrazine?
The InChIKey is SFTOWTRQZJNAPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5/c1-18-8-9-23(20(3)16-18)28-12-14-29(15-13-28)25-24-17-22(27-30(24)11-10-26-25)21-7-5-4-6-19(21)2/h4-11,16-17H,12-15H2,1-3H3.
What are the key properties of 4-[4-(2,4-dimethylphenyl)piperazin-1-yl]-2-(2-methylphenyl)pyrazolo[1,5-a]pyrazine?
4-[4-(2,4-dimethylphenyl)piperazin-1-yl]-2-(2-methylphenyl)pyrazolo[1,5-a]pyrazine has a molecular weight of 397.53 g/mol, XLogP of 4.65, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,4-dimethylphenyl)piperazin-1-yl]-2-(2-methylphenyl)pyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 53333782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).