2-ethyl-3-(4-methoxyphenyl)sulfonyl-5-methyl-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine

C21H27N5O3S — CID 21254917

IUPAC2-ethyl-3-(4-methoxyphenyl)sulfonyl-5-methyl-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine
SMILESCCc1nn2c(N3CCN(C)CC3)cc(C)nc2c1S(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C21H27N5O3S/c1-5-18-20(30(27,28)17-8-6-16(29-4)7-9-17)21-22-15(2)14-19(26(21)23-18)25-12-10-24(3)11-13-25/h6-9,14H,5,10-13H2,1-4H3
InChIKeyBCDQPGOYBNLFRB-UHFFFAOYSA-N
MW429.55 g/mol
LogP2.19
Rot. Bonds5

About 2-ethyl-3-(4-methoxyphenyl)sulfonyl-5-methyl-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine

2-ethyl-3-(4-methoxyphenyl)sulfonyl-5-methyl-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine (PubChem CID 21254917) has the molecular formula C21H27N5O3S and a molecular weight of 429.55 g/mol. Its IUPAC name is 2-ethyl-3-(4-methoxyphenyl)sulfonyl-5-methyl-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-ethyl-3-(4-methoxyphenyl)sulfonyl-5-methyl-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine
PubChem CID21254917
Molecular FormulaC21H27N5O3S
Molecular Weight429.55 g/mol
Exact Mass429.18
IUPAC Name2-ethyl-3-(4-methoxyphenyl)sulfonyl-5-methyl-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine
SMILESCCc1nn2c(N3CCN(C)CC3)cc(C)nc2c1S(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C21H27N5O3S/c1-5-18-20(30(27,28)17-8-6-16(29-4)7-9-17)21-22-15(2)14-19(26(21)23-18)25-12-10-24(3)11-13-25/h6-9,14H,5,10-13H2,1-4H3
InChIKeyBCDQPGOYBNLFRB-UHFFFAOYSA-N
XLogP2.19
TPSA80.04 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.55
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-ethyl-3-(4-methoxyphenyl)sulfonyl-5-methyl-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine 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-bromophenyl)sulfonyl-5-methyl-7-(4-methylpiperazin-1-yl)-2-methylsulfanylpyrazolo[1,5-a]pyrimidine
CID 21254937
2-[3-(benzenesulfonyl)-5-methyl-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-2-yl]oxyethanol
CID 21254974
3-(4-methoxyphenyl)-2,5-dimethyl-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine
CID 16668295
1-[4-[3-(4-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]ethanone
CID 16674762
7-[4-(4-methoxyphenyl)piperazin-1-yl]-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine
CID 20861586
1-ethyl-5-(4-methoxyphenyl)sulfonyl-3-methylpyrazole
CID 57287286
4-[[3-(benzenesulfonyl)-7-(4-methylpiperazin-1-yl)-2-methylsulfanylpyrazolo[1,5-a]pyrimidin-5-yl]methyl]morpholine
CID 21254901
7-[4-(4-chlorophenyl)piperazin-1-yl]-2-(4-methoxyphenyl)-3,5-dimethylpyrazolo[1,5-a]pyrimidine
CID 46299337
3-(benzenesulfonyl)-5,6-dimethyl-7-(4-methylpiperazin-1-yl)-2-methylsulfanylpyrazolo[1,5-a]pyrimidine
CID 21254983
3-(benzenesulfonyl)-2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-amine;hydrochloride
CID 123208146
4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidine
CID 56921805
2-(4-methoxyphenyl)-3,5-dimethyl-7-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine
CID 46299322

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-(4-methoxyphenyl)sulfonyl-5-methyl-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 2-ethyl-3-(4-methoxyphenyl)sulfonyl-5-methyl-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine (CID 21254917) is 2-ethyl-3-(4-methoxyphenyl)sulfonyl-5-methyl-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-ethyl-3-(4-methoxyphenyl)sulfonyl-5-methyl-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-ethyl-3-(4-methoxyphenyl)sulfonyl-5-methyl-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine is CCc1nn2c(N3CCN(C)CC3)cc(C)nc2c1S(=O)(=O)c1ccc(OC)cc1.
What is the InChIKey of 2-ethyl-3-(4-methoxyphenyl)sulfonyl-5-methyl-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is BCDQPGOYBNLFRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O3S/c1-5-18-20(30(27,28)17-8-6-16(29-4)7-9-17)21-22-15(2)14-19(26(21)23-18)25-12-10-24(3)11-13-25/h6-9,14H,5,10-13H2,1-4H3.
What are the key properties of 2-ethyl-3-(4-methoxyphenyl)sulfonyl-5-methyl-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine?
2-ethyl-3-(4-methoxyphenyl)sulfonyl-5-methyl-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 429.55 g/mol, XLogP of 2.19, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-(4-methoxyphenyl)sulfonyl-5-methyl-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 21254917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).