5-[4-[3-(2,4-dimethylphenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]sulfonyl-6-methyl-1H-pyrimidine-2,4-dione

C21H24N6O5S — CID 20910873

IUPAC5-[4-[3-(2,4-dimethylphenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]sulfonyl-6-methyl-1H-pyrimidine-2,4-dione
SMILESCc1ccc(-c2cc(C(=O)N3CCN(S(=O)(=O)c4c(C)[nH]c(=O)[nH]c4=O)CC3)[nH]n2)c(C)c1
InChIInChI=1S/C21H24N6O5S/c1-12-4-5-15(13(2)10-12)16-11-17(25-24-16)20(29)26-6-8-27(9-7-26)33(31,32)18-14(3)22-21(30)23-19(18)28/h4-5,10-11H,6-9H2,1-3H3,(H,24,25)(H2,22,23,28,30)
InChIKeyUMCDOXRKTKSLIM-UHFFFAOYSA-N
MW472.53 g/mol
LogP0.53
Rot. Bonds4

About 5-[4-[3-(2,4-dimethylphenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]sulfonyl-6-methyl-1H-pyrimidine-2,4-dione

5-[4-[3-(2,4-dimethylphenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]sulfonyl-6-methyl-1H-pyrimidine-2,4-dione (PubChem CID 20910873) has the molecular formula C21H24N6O5S and a molecular weight of 472.53 g/mol. Its IUPAC name is 5-[4-[3-(2,4-dimethylphenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]sulfonyl-6-methyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[4-[3-(2,4-dimethylphenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]sulfonyl-6-methyl-1H-pyrimidine-2,4-dione
PubChem CID20910873
Molecular FormulaC21H24N6O5S
Molecular Weight472.53 g/mol
Exact Mass472.15
IUPAC Name5-[4-[3-(2,4-dimethylphenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]sulfonyl-6-methyl-1H-pyrimidine-2,4-dione
SMILESCc1ccc(-c2cc(C(=O)N3CCN(S(=O)(=O)c4c(C)[nH]c(=O)[nH]c4=O)CC3)[nH]n2)c(C)c1
InChIInChI=1S/C21H24N6O5S/c1-12-4-5-15(13(2)10-12)16-11-17(25-24-16)20(29)26-6-8-27(9-7-26)33(31,32)18-14(3)22-21(30)23-19(18)28/h4-5,10-11H,6-9H2,1-3H3,(H,24,25)(H2,22,23,28,30)
InChIKeyUMCDOXRKTKSLIM-UHFFFAOYSA-N
XLogP0.53
TPSA152.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.53
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-[4-[3-(2,4-dimethylphenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]sulfonyl-6-methyl-1H-pyrimidine-2,4-dione 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

5-[4-[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]sulfonyl-6-methyl-1H-pyrimidine-2,4-dione
CID 20910866
[4-[3-(2,4-dimethylphenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]-(2-fluorophenyl)methanone
CID 20910921
5-[3-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]piperidin-1-yl]sulfonyl-6-methyl-1H-pyrimidine-2,4-dione
CID 3243195
[(4aS,7aR)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-[3-(2,4-dimethylphenyl)-1H-pyrazol-5-yl]methanone
CID 122084608
4-[4-(2,4-dimethylphenyl)sulfonylpiperazine-1-carbonyl]-2H-phthalazin-1-one
CID 2496789
[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(2,5-dimethylthiophen-3-yl)methanone
CID 17470269
1H-indol-2-yl-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 9326892
[4-(2,4-dimethylphenyl)piperazin-1-yl]-(3-naphthalen-1-yl-1H-pyrazol-5-yl)methanone
CID 46920455
[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone
CID 19515203
N-[1-[3-(2,4-dimethylphenyl)-1H-pyrazole-5-carbonyl]-4-(hydroxymethyl)pyrrolidin-3-yl]acetamide
CID 156611250
[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 110805349
2H-benzotriazol-5-yl-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 24535867

Frequently Asked Questions

What is the IUPAC name of 5-[4-[3-(2,4-dimethylphenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]sulfonyl-6-methyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[4-[3-(2,4-dimethylphenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]sulfonyl-6-methyl-1H-pyrimidine-2,4-dione (CID 20910873) is 5-[4-[3-(2,4-dimethylphenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]sulfonyl-6-methyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[4-[3-(2,4-dimethylphenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]sulfonyl-6-methyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[4-[3-(2,4-dimethylphenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]sulfonyl-6-methyl-1H-pyrimidine-2,4-dione is Cc1ccc(-c2cc(C(=O)N3CCN(S(=O)(=O)c4c(C)[nH]c(=O)[nH]c4=O)CC3)[nH]n2)c(C)c1.
What is the InChIKey of 5-[4-[3-(2,4-dimethylphenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]sulfonyl-6-methyl-1H-pyrimidine-2,4-dione?
The InChIKey is UMCDOXRKTKSLIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O5S/c1-12-4-5-15(13(2)10-12)16-11-17(25-24-16)20(29)26-6-8-27(9-7-26)33(31,32)18-14(3)22-21(30)23-19(18)28/h4-5,10-11H,6-9H2,1-3H3,(H,24,25)(H2,22,23,28,30).
What are the key properties of 5-[4-[3-(2,4-dimethylphenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]sulfonyl-6-methyl-1H-pyrimidine-2,4-dione?
5-[4-[3-(2,4-dimethylphenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]sulfonyl-6-methyl-1H-pyrimidine-2,4-dione has a molecular weight of 472.53 g/mol, XLogP of 0.53, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[3-(2,4-dimethylphenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]sulfonyl-6-methyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 20910873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).