2-[2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide

C24H25N5O3S2 — CID 53334130

IUPAC2-[2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
SMILESCc1ccc(-c2cc3c(SCC(=O)NCCc4ccc(S(N)(=O)=O)cc4)nccn3n2)cc1C
InChIInChI=1S/C24H25N5O3S2/c1-16-3-6-19(13-17(16)2)21-14-22-24(27-11-12-29(22)28-21)33-15-23(30)26-10-9-18-4-7-20(8-5-18)34(25,31)32/h3-8,11-14H,9-10,15H2,1-2H3,(H,26,30)(H2,25,31,32)
InChIKeyQLUITZWNXOBLRW-UHFFFAOYSA-N
MW495.63 g/mol
LogP3.11
Rot. Bonds8

About 2-[2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide

2-[2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide (PubChem CID 53334130) has the molecular formula C24H25N5O3S2 and a molecular weight of 495.63 g/mol. Its IUPAC name is 2-[2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
PubChem CID53334130
Molecular FormulaC24H25N5O3S2
Molecular Weight495.63 g/mol
Exact Mass495.14
IUPAC Name2-[2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
SMILESCc1ccc(-c2cc3c(SCC(=O)NCCc4ccc(S(N)(=O)=O)cc4)nccn3n2)cc1C
InChIInChI=1S/C24H25N5O3S2/c1-16-3-6-19(13-17(16)2)21-14-22-24(27-11-12-29(22)28-21)33-15-23(30)26-10-9-18-4-7-20(8-5-18)34(25,31)32/h3-8,11-14H,9-10,15H2,1-2H3,(H,26,30)(H2,25,31,32)
InChIKeyQLUITZWNXOBLRW-UHFFFAOYSA-N
XLogP3.11
TPSA119.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.63
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-(2-phenylethyl)acetamide
CID 71825008
2-[2-(4-ethoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-(2-phenylethyl)acetamide
CID 71824995
N-(4-bromophenyl)-2-[2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylacetamide
CID 53334167
2-[2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-(3-methylphenyl)acetamide
CID 53334154
N-[(2-chloro-4-fluorophenyl)methyl]-2-[2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylacetamide
CID 71824999
2-[2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-(3,4,5-trimethoxyphenyl)acetamide
CID 53334207
2-[2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-[(4-methylphenyl)methyl]acetamide
CID 27371669
N-(4-ethylphenyl)-2-[2-(4-ethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylacetamide
CID 27372018
N-(2,6-dimethylphenyl)-2-[2-(4-methylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylacetamide
CID 27509335
4-(3,4-dimethylphenyl)-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
CID 27538895
2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 29484698
N-[2-(4-sulfamoylphenyl)ethyl]-2-(5-thia-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,9,11-pentaen-9-ylsulfanyl)acetamide
CID 22552242

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The IUPAC name of 2-[2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide (CID 53334130) is 2-[2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The canonical SMILES for 2-[2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide is Cc1ccc(-c2cc3c(SCC(=O)NCCc4ccc(S(N)(=O)=O)cc4)nccn3n2)cc1C.
What is the InChIKey of 2-[2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The InChIKey is QLUITZWNXOBLRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O3S2/c1-16-3-6-19(13-17(16)2)21-14-22-24(27-11-12-29(22)28-21)33-15-23(30)26-10-9-18-4-7-20(8-5-18)34(25,31)32/h3-8,11-14H,9-10,15H2,1-2H3,(H,26,30)(H2,25,31,32).
What are the key properties of 2-[2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
2-[2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide has a molecular weight of 495.63 g/mol, XLogP of 3.11, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide is sourced from PubChem (CID 53334130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).