2-(3-ethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

C15H13N3O3 — CID 82271897

IUPAC2-(3-ethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESCCOc1cccc(-c2nn3cccnc3c2C(=O)O)c1
InChIInChI=1S/C15H13N3O3/c1-2-21-11-6-3-5-10(9-11)13-12(15(19)20)14-16-7-4-8-18(14)17-13/h3-9H,2H2,1H3,(H,19,20)
InChIKeyNCWKWMKGNVQGGT-UHFFFAOYSA-N
MW283.29 g/mol
LogP2.49
Rot. Bonds4

About 2-(3-ethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

2-(3-ethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (PubChem CID 82271897) has the molecular formula C15H13N3O3 and a molecular weight of 283.29 g/mol. Its IUPAC name is 2-(3-ethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name2-(3-ethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
PubChem CID82271897
Molecular FormulaC15H13N3O3
Molecular Weight283.29 g/mol
Exact Mass283.10
IUPAC Name2-(3-ethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESCCOc1cccc(-c2nn3cccnc3c2C(=O)O)c1
InChIInChI=1S/C15H13N3O3/c1-2-21-11-6-3-5-10(9-11)13-12(15(19)20)14-16-7-4-8-18(14)17-13/h3-9H,2H2,1H3,(H,19,20)
InChIKeyNCWKWMKGNVQGGT-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

2-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbaldehyde
CID 82271855
2-[3-(3-ethoxyphenyl)-1,2-oxazol-4-yl]acetic acid
CID 82295657
ethyl 2-(6-propan-2-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 165166467
2-(5-bromofuran-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 82271910
3-(3-methoxyphenyl)-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine
CID 11370947
3-(3-ethoxyphenyl)-2-methylbenzoic acid
CID 53226301
3-(3-ethoxyphenyl)-1H-indazole-6-carboxylic acid
CID 170838850
N-(4-ethoxy-3-fluorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 87030954
4-(3-ethoxyphenyl)imidazole-1,5-diamine
CID 62482761
2-(3-ethoxyphenyl)-1-methyl-4,5-dihydroimidazole
CID 110540746
2-(3-ethoxyphenyl)-1H-imidazole-5-carboxylic acid
CID 62252661
3-(3-ethoxyphenyl)-1H-pyrazine-2-thione
CID 106519902

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The IUPAC name of 2-(3-ethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (CID 82271897) is 2-(3-ethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.
What is the SMILES notation for 2-(3-ethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The canonical SMILES for 2-(3-ethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is CCOc1cccc(-c2nn3cccnc3c2C(=O)O)c1.
What is the InChIKey of 2-(3-ethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The InChIKey is NCWKWMKGNVQGGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3/c1-2-21-11-6-3-5-10(9-11)13-12(15(19)20)14-16-7-4-8-18(14)17-13/h3-9H,2H2,1H3,(H,19,20).
What are the key properties of 2-(3-ethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
2-(3-ethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-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 2-(3-ethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 82271897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).