ethyl 2-(3-methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylate

C18H19N3O3 — CID 5309074

IUPACethyl 2-(3-methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1c(-c2cccc(OC)c2)nn2c(C)cc(C)nc12
InChIInChI=1S/C18H19N3O3/c1-5-24-18(22)15-16(13-7-6-8-14(10-13)23-4)20-21-12(3)9-11(2)19-17(15)21/h6-10H,5H2,1-4H3
InChIKeyCGHIEUYDJQXAJE-UHFFFAOYSA-N
MW325.37 g/mol
LogP3.20
Rot. Bonds4

About ethyl 2-(3-methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylate

ethyl 2-(3-methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylate (PubChem CID 5309074) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is ethyl 2-(3-methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-(3-methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylate
PubChem CID5309074
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Nameethyl 2-(3-methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1c(-c2cccc(OC)c2)nn2c(C)cc(C)nc12
InChIInChI=1S/C18H19N3O3/c1-5-24-18(22)15-16(13-7-6-8-14(10-13)23-4)20-21-12(3)9-11(2)19-17(15)21/h6-10H,5H2,1-4H3
InChIKeyCGHIEUYDJQXAJE-UHFFFAOYSA-N
XLogP3.20
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Isobutyl 1-(8-methoxy-5-(1-oxo-1,3-dihydroisobenzofuran-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropane-1-carboxylate
CID 71611998
N,N-Diethyl-2-(2-(4-methoxyphenyl)-5,7-dimethylpyrazolo(1,5-a)pyrimidin-3-yl)acetamide
CID 11595759
2-(5,7-diethyl-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl)-N,N-diethylacetamide
CID 71625545
1-[6-(3-Propan-2-yloxyphenyl)pyridin-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 126754445
1-[2-(4-Methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone
CID 754768
3-(2-Methoxyphenyl)-2,5-dimethyl-7-phenylpyrazolo[1,5-a]pyrimidine
CID 977660
1-[3-(2-Cyclopropyl-8-methoxy[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenyl]ethanone
CID 46830049
4-(2-Cyclopropyl-8-methoxy[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzoic acid
CID 46830628
1-[4-(2-Cyclopropyl-8-methoxy[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenyl]ethanone
CID 46834114
Methyl 3-(2-cyclopropyl-8-methoxy[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzoate
CID 46834386
Methyl 4-(2-cyclopropyl-8-methoxy[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzoate
CID 46834388
2-[2-(4''-Ethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-N,N-diethylacetamide
CID 46945444

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylate?
The IUPAC name of ethyl 2-(3-methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylate (CID 5309074) is ethyl 2-(3-methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylate.
What is the SMILES notation for ethyl 2-(3-methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylate?
The canonical SMILES for ethyl 2-(3-methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylate is CCOC(=O)c1c(-c2cccc(OC)c2)nn2c(C)cc(C)nc12.
What is the InChIKey of ethyl 2-(3-methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylate?
The InChIKey is CGHIEUYDJQXAJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-5-24-18(22)15-16(13-7-6-8-14(10-13)23-4)20-21-12(3)9-11(2)19-17(15)21/h6-10H,5H2,1-4H3.
What are the key properties of ethyl 2-(3-methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylate?
ethyl 2-(3-methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylate has a molecular weight of 325.37 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylate is sourced from PubChem (CID 5309074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).