[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl-1-methylpyrazol-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone

C24H36N6O3S — CID 53336565

IUPAC[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl-1-methylpyrazol-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCc1ccc(C)c(N2CCN(S(=O)(=O)c3nn(C)cc3C(=O)N3CCN(C(C)C)CC3)CC2)c1
InChIInChI=1S/C24H36N6O3S/c1-18(2)27-8-10-29(11-9-27)24(31)21-17-26(5)25-23(21)34(32,33)30-14-12-28(13-15-30)22-16-19(3)6-7-20(22)4/h6-7,16-18H,8-15H2,1-5H3
InChIKeyRFACPRUVTHLUGH-UHFFFAOYSA-N
MW488.66 g/mol
LogP1.71
Rot. Bonds5

About [3-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl-1-methylpyrazol-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone

[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl-1-methylpyrazol-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone (PubChem CID 53336565) has the molecular formula C24H36N6O3S and a molecular weight of 488.66 g/mol. Its IUPAC name is [3-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl-1-methylpyrazol-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl-1-methylpyrazol-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
PubChem CID53336565
Molecular FormulaC24H36N6O3S
Molecular Weight488.66 g/mol
Exact Mass488.26
IUPAC Name[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl-1-methylpyrazol-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCc1ccc(C)c(N2CCN(S(=O)(=O)c3nn(C)cc3C(=O)N3CCN(C(C)C)CC3)CC2)c1
InChIInChI=1S/C24H36N6O3S/c1-18(2)27-8-10-29(11-9-27)24(31)21-17-26(5)25-23(21)34(32,33)30-14-12-28(13-15-30)22-16-19(3)6-7-20(22)4/h6-7,16-18H,8-15H2,1-5H3
InChIKeyRFACPRUVTHLUGH-UHFFFAOYSA-N
XLogP1.71
TPSA81.99 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.66
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [3-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl-1-methylpyrazol-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]sulfonyl-1-methylpyrazol-4-yl]-pyrrolidin-1-ylmethanone
CID 53336733
[3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]sulfonyl-1-methylpyrazol-4-yl]-thiomorpholin-4-ylmethanone
CID 53336744
ethyl 1-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl-1-ethylpyrazole-4-carbonyl]piperidine-4-carboxylate
CID 53336578
N-[(2S)-butan-2-yl]-3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]sulfonyl-1-methylpyrazole-4-carboxamide
CID 95095061
[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl-1-ethylpyrazol-4-yl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 53336579
2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 57442534
1-[3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]sulfonyl-1-ethylpyrazole-4-carbonyl]piperidin-4-one
CID 53336781
(4-benzylpiperidin-1-yl)-[3-[4-(2-chlorophenyl)piperazin-1-yl]sulfonyl-1-methylpyrazol-4-yl]methanone
CID 53336468
1-[4-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-1-ethylpyrazole-4-carbonyl]piperazin-1-yl]ethanone
CID 53336912
1-(2,5-dimethylphenyl)-4-(4-methylphenyl)sulfonylpiperazine
CID 785540
[4-(2,5-dimethylphenyl)piperazin-1-yl]-[1-(1-ethylimidazol-4-yl)sulfonylpiperidin-4-yl]methanone
CID 53085480
[3-[4-(2-ethoxyphenyl)piperazin-1-yl]sulfonyl-1-methylpyrazol-4-yl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 53336391

Frequently Asked Questions

What is the IUPAC name of [3-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl-1-methylpyrazol-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [3-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl-1-methylpyrazol-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone (CID 53336565) is [3-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl-1-methylpyrazol-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [3-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl-1-methylpyrazol-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [3-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl-1-methylpyrazol-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone is Cc1ccc(C)c(N2CCN(S(=O)(=O)c3nn(C)cc3C(=O)N3CCN(C(C)C)CC3)CC2)c1.
What is the InChIKey of [3-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl-1-methylpyrazol-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The InChIKey is RFACPRUVTHLUGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N6O3S/c1-18(2)27-8-10-29(11-9-27)24(31)21-17-26(5)25-23(21)34(32,33)30-14-12-28(13-15-30)22-16-19(3)6-7-20(22)4/h6-7,16-18H,8-15H2,1-5H3.
What are the key properties of [3-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl-1-methylpyrazol-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl-1-methylpyrazol-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone has a molecular weight of 488.66 g/mol, XLogP of 1.71, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl-1-methylpyrazol-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 53336565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).