6-ethyl-3-(2-methoxyphenyl)-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid

C20H23N3O3 — CID 137481226

IUPAC6-ethyl-3-(2-methoxyphenyl)-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid
SMILESCCc1c(C(=O)O)nc2c(-c3ccccc3OC)c(C)nn2c1C(C)C
InChIInChI=1S/C20H23N3O3/c1-6-13-17(20(24)25)21-19-16(14-9-7-8-10-15(14)26-5)12(4)22-23(19)18(13)11(2)3/h7-11H,6H2,1-5H3,(H,24,25)
InChIKeyWBHOQGMZOBIYLB-UHFFFAOYSA-N
MW353.42 g/mol
LogP4.10
Rot. Bonds5

About 6-ethyl-3-(2-methoxyphenyl)-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid

6-ethyl-3-(2-methoxyphenyl)-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid (PubChem CID 137481226) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 6-ethyl-3-(2-methoxyphenyl)-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name6-ethyl-3-(2-methoxyphenyl)-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid
PubChem CID137481226
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name6-ethyl-3-(2-methoxyphenyl)-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid
SMILESCCc1c(C(=O)O)nc2c(-c3ccccc3OC)c(C)nn2c1C(C)C
InChIInChI=1S/C20H23N3O3/c1-6-13-17(20(24)25)21-19-16(14-9-7-8-10-15(14)26-5)12(4)22-23(19)18(13)11(2)3/h7-11H,6H2,1-5H3,(H,24,25)
InChIKeyWBHOQGMZOBIYLB-UHFFFAOYSA-N
XLogP4.10
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3-(2-methoxyphenyl)-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The IUPAC name of 6-ethyl-3-(2-methoxyphenyl)-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid (CID 137481226) is 6-ethyl-3-(2-methoxyphenyl)-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 6-ethyl-3-(2-methoxyphenyl)-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The canonical SMILES for 6-ethyl-3-(2-methoxyphenyl)-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid is CCc1c(C(=O)O)nc2c(-c3ccccc3OC)c(C)nn2c1C(C)C.
What is the InChIKey of 6-ethyl-3-(2-methoxyphenyl)-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The InChIKey is WBHOQGMZOBIYLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-6-13-17(20(24)25)21-19-16(14-9-7-8-10-15(14)26-5)12(4)22-23(19)18(13)11(2)3/h7-11H,6H2,1-5H3,(H,24,25).
What are the key properties of 6-ethyl-3-(2-methoxyphenyl)-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
6-ethyl-3-(2-methoxyphenyl)-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid has a molecular weight of 353.42 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3-(2-methoxyphenyl)-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 137481226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).