7-(4-ethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid

C15H13N3O3 — CID 103200521

IUPAC7-(4-ethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
SMILESCCOc1ccc(-c2ccnc3cc(C(=O)O)nn23)cc1
InChIInChI=1S/C15H13N3O3/c1-2-21-11-5-3-10(4-6-11)13-7-8-16-14-9-12(15(19)20)17-18(13)14/h3-9H,2H2,1H3,(H,19,20)
InChIKeyIEJGUAMVICJUDW-UHFFFAOYSA-N
MW283.29 g/mol
LogP2.49
Rot. Bonds4

About 7-(4-ethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid

7-(4-ethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid (PubChem CID 103200521) has the molecular formula C15H13N3O3 and a molecular weight of 283.29 g/mol. Its IUPAC name is 7-(4-ethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name7-(4-ethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
PubChem CID103200521
Molecular FormulaC15H13N3O3
Molecular Weight283.29 g/mol
Exact Mass283.10
IUPAC Name7-(4-ethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
SMILESCCOc1ccc(-c2ccnc3cc(C(=O)O)nn23)cc1
InChIInChI=1S/C15H13N3O3/c1-2-21-11-5-3-10(4-6-11)13-7-8-16-14-9-12(15(19)20)17-18(13)14/h3-9H,2H2,1H3,(H,19,20)
InChIKeyIEJGUAMVICJUDW-UHFFFAOYSA-N
XLogP2.49
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-(1-ethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 103200540
5-(4-ethoxyphenyl)-1-(2-methylphenyl)pyrazole-3-carboxylic acid
CID 23732214
7-(2-ethylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 4774397
1-[7-(2,3-dihydro-1-benzofuran-5-yl)pyrazolo[1,5-a]pyrimidin-2-yl]propan-1-one;1-ethoxy-4-methylbenzene
CID 163264809
7-(1-ethyl-5-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 4776201
4-ethoxy-N-[1-[7-(4-fluoro-3-methylphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]ethenyl]aniline
CID 167035594
pyrazolo[1,5-a]pyrimidine-2,7-dicarboxylic acid
CID 125456084
7-(4-chloro-2-fluorophenyl)-N-(4-ethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 167400875
methyl 5-(4-ethoxyphenyl)-1-methylpyrazole-3-carboxylate
CID 62269593
7-(4-methoxyphenyl)-N-(2-methyl-1-piperidin-1-ylpropan-2-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 46951607
ethyl 7-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 103200618
1-[7-(3-methoxy-4-methylphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]butan-1-one;1-methyl-4-propoxybenzene
CID 163265029

Frequently Asked Questions

What is the IUPAC name of 7-(4-ethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The IUPAC name of 7-(4-ethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid (CID 103200521) is 7-(4-ethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid.
What is the SMILES notation for 7-(4-ethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The canonical SMILES for 7-(4-ethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid is CCOc1ccc(-c2ccnc3cc(C(=O)O)nn23)cc1.
What is the InChIKey of 7-(4-ethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The InChIKey is IEJGUAMVICJUDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3/c1-2-21-11-5-3-10(4-6-11)13-7-8-16-14-9-12(15(19)20)17-18(13)14/h3-9H,2H2,1H3,(H,19,20).
What are the key properties of 7-(4-ethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
7-(4-ethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid has a molecular weight of 283.29 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-ethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid is sourced from PubChem (CID 103200521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).