methyl 2-[3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanylacetate

C18H19N3O3S — CID 20967183

IUPACmethyl 2-[3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanylacetate
SMILESCOC(=O)CSc1cc(C)nc2c(-c3ccccc3OC)c(C)nn12
InChIInChI=1S/C18H19N3O3S/c1-11-9-15(25-10-16(22)24-4)21-18(19-11)17(12(2)20-21)13-7-5-6-8-14(13)23-3/h5-9H,10H2,1-4H3
InChIKeyFVSOCPUWQUGTMS-UHFFFAOYSA-N
MW357.44 g/mol
LogP3.29
Rot. Bonds5

About methyl 2-[3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanylacetate

methyl 2-[3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanylacetate (PubChem CID 20967183) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is methyl 2-[3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanylacetate.

Molecular Properties

Compound Namemethyl 2-[3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanylacetate
PubChem CID20967183
Molecular FormulaC18H19N3O3S
Molecular Weight357.44 g/mol
Exact Mass357.11
IUPAC Namemethyl 2-[3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanylacetate
SMILESCOC(=O)CSc1cc(C)nc2c(-c3ccccc3OC)c(C)nn12
InChIInChI=1S/C18H19N3O3S/c1-11-9-15(25-10-16(22)24-4)21-18(19-11)17(12(2)20-21)13-7-5-6-8-14(13)23-3/h5-9H,10H2,1-4H3
InChIKeyFVSOCPUWQUGTMS-UHFFFAOYSA-N
XLogP3.29
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-2-[3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanylacetamide
CID 20885017
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-[3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanylacetamide
CID 20885043
3-(2-methoxyphenyl)-2,5-dimethyl-7-phenylpyrazolo[1,5-a]pyrimidine
CID 977660
3-(2-methoxyphenyl)-2,5-dimethyl-N-(2-methylpropyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 4900741
N-benzyl-3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
CID 4183438
ethyl 4-[3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]piperazine-1-carboxylate
CID 4179581
N-[(4-fluorophenyl)methyl]-3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
CID 4179582
ethyl 5-amino-1-[3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]pyrazole-4-carboxylate
CID 4870913
7-imidazol-1-yl-3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine
CID 4898409
2-[3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanyl-N-(2-methylphenyl)acetamide
CID 4254449
3-(2-methoxyphenyl)-2,5-dimethyl-7-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine
CID 4871516
6-ethyl-3-(2-methoxyphenyl)-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 137481226

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanylacetate?
The IUPAC name of methyl 2-[3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanylacetate (CID 20967183) is methyl 2-[3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanylacetate.
What is the SMILES notation for methyl 2-[3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanylacetate?
The canonical SMILES for methyl 2-[3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanylacetate is COC(=O)CSc1cc(C)nc2c(-c3ccccc3OC)c(C)nn12.
What is the InChIKey of methyl 2-[3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanylacetate?
The InChIKey is FVSOCPUWQUGTMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S/c1-11-9-15(25-10-16(22)24-4)21-18(19-11)17(12(2)20-21)13-7-5-6-8-14(13)23-3/h5-9H,10H2,1-4H3.
What are the key properties of methyl 2-[3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanylacetate?
methyl 2-[3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanylacetate has a molecular weight of 357.44 g/mol, XLogP of 3.29, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanylacetate is sourced from PubChem (CID 20967183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).