N-(4-bromo-2-fluorophenyl)-2-[2-(4-ethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylacetamide

C22H18BrFN4OS — CID 27372034

IUPACN-(4-bromo-2-fluorophenyl)-2-[2-(4-ethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylacetamide
SMILESCCc1ccc(-c2cc3c(SCC(=O)Nc4ccc(Br)cc4F)nccn3n2)cc1
InChIInChI=1S/C22H18BrFN4OS/c1-2-14-3-5-15(6-4-14)19-12-20-22(25-9-10-28(20)27-19)30-13-21(29)26-18-8-7-16(23)11-17(18)24/h3-12H,2,13H2,1H3,(H,26,29)
InChIKeyZEYBXCZTHJZCLJ-UHFFFAOYSA-N
MW485.38 g/mol
LogP5.59
Rot. Bonds6

About N-(4-bromo-2-fluorophenyl)-2-[2-(4-ethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylacetamide

N-(4-bromo-2-fluorophenyl)-2-[2-(4-ethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylacetamide (PubChem CID 27372034) has the molecular formula C22H18BrFN4OS and a molecular weight of 485.38 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-2-[2-(4-ethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-2-[2-(4-ethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylacetamide
PubChem CID27372034
Molecular FormulaC22H18BrFN4OS
Molecular Weight485.38 g/mol
Exact Mass484.04
IUPAC NameN-(4-bromo-2-fluorophenyl)-2-[2-(4-ethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylacetamide
SMILESCCc1ccc(-c2cc3c(SCC(=O)Nc4ccc(Br)cc4F)nccn3n2)cc1
InChIInChI=1S/C22H18BrFN4OS/c1-2-14-3-5-15(6-4-14)19-12-20-22(25-9-10-28(20)27-19)30-13-21(29)26-18-8-7-16(23)11-17(18)24/h3-12H,2,13H2,1H3,(H,26,29)
InChIKeyZEYBXCZTHJZCLJ-UHFFFAOYSA-N
XLogP5.59
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.38
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-ethylphenyl)-2-[2-(4-ethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylacetamide
CID 27372018
N-(2,4-difluorophenyl)-2-[2-(4-ethoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylacetamide
CID 53334331
2-[2-(4-ethoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-(4-ethylphenyl)acetamide
CID 53334296
N-(2-chloro-4-fluorophenyl)-2-[2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylacetamide
CID 53334217
N-(4-bromophenyl)-2-[2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylacetamide
CID 53334167
N-(2-chloro-4-methylphenyl)-2-[2-(4-ethoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylacetamide
CID 53334329
N-(2,4-dimethoxyphenyl)-2-[2-(4-ethoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylacetamide
CID 53334299
N-(2,6-dimethylphenyl)-2-[2-(4-methylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylacetamide
CID 27509335
ethyl 2-[[2-[2-(4-ethoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylacetyl]amino]benzoate
CID 53334326
2-[2-(4-ethoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide
CID 53334301
4-[(4-bromophenyl)methylsulfanyl]-2-phenylpyrazolo[1,5-a]pyrazine
CID 27372817
methyl 4-[[2-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylacetyl]amino]benzoate
CID 27371671

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-2-[2-(4-ethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylacetamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-2-[2-(4-ethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylacetamide (CID 27372034) is N-(4-bromo-2-fluorophenyl)-2-[2-(4-ethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylacetamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-2-[2-(4-ethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylacetamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-2-[2-(4-ethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylacetamide is CCc1ccc(-c2cc3c(SCC(=O)Nc4ccc(Br)cc4F)nccn3n2)cc1.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-2-[2-(4-ethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylacetamide?
The InChIKey is ZEYBXCZTHJZCLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18BrFN4OS/c1-2-14-3-5-15(6-4-14)19-12-20-22(25-9-10-28(20)27-19)30-13-21(29)26-18-8-7-16(23)11-17(18)24/h3-12H,2,13H2,1H3,(H,26,29).
What are the key properties of N-(4-bromo-2-fluorophenyl)-2-[2-(4-ethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylacetamide?
N-(4-bromo-2-fluorophenyl)-2-[2-(4-ethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylacetamide has a molecular weight of 485.38 g/mol, XLogP of 5.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-2-[2-(4-ethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylacetamide is sourced from PubChem (CID 27372034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).