ethyl 2-[2-(5-fluoro-2-hydroxyphenyl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate

C17H16FN3O3 — CID 140762116

IUPACethyl 2-[2-(5-fluoro-2-hydroxyphenyl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1c(CCc2cc(F)ccc2O)nn2cccnc12
InChIInChI=1S/C17H16FN3O3/c1-2-24-17(23)15-13(20-21-9-3-8-19-16(15)21)6-4-11-10-12(18)5-7-14(11)22/h3,5,7-10,22H,2,4,6H2,1H3
InChIKeyOKGZQSBKPFMJKC-UHFFFAOYSA-N
MW329.33 g/mol
LogP2.54
Rot. Bonds5

About ethyl 2-[2-(5-fluoro-2-hydroxyphenyl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate

ethyl 2-[2-(5-fluoro-2-hydroxyphenyl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate (PubChem CID 140762116) has the molecular formula C17H16FN3O3 and a molecular weight of 329.33 g/mol. Its IUPAC name is ethyl 2-[2-(5-fluoro-2-hydroxyphenyl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[2-(5-fluoro-2-hydroxyphenyl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate
PubChem CID140762116
Molecular FormulaC17H16FN3O3
Molecular Weight329.33 g/mol
Exact Mass329.12
IUPAC Nameethyl 2-[2-(5-fluoro-2-hydroxyphenyl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1c(CCc2cc(F)ccc2O)nn2cccnc12
InChIInChI=1S/C17H16FN3O3/c1-2-24-17(23)15-13(20-21-9-3-8-19-16(15)21)6-4-11-10-12(18)5-7-14(11)22/h3,5,7-10,22H,2,4,6H2,1H3
InChIKeyOKGZQSBKPFMJKC-UHFFFAOYSA-N
XLogP2.54
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.33
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(4-Methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone
CID 754768
(1,3-Dimethylpyrazolo[3,4-b]pyridin-5-yl)-(2-hydroxyphenyl)methanone
CID 2125445
(5-Fluoro-2-hydroxyphenyl)-[1-(2-hydroxyethyl)-3-methylpyrazolo[3,4-b]pyridin-5-yl]methanone
CID 4884014
(2-hydroxyphenyl)(3-methyl-1-phenyl-1H-pyrazolo[3,4-b]pyridin-5-yl)methanone
CID 1211941
5-[1-(Tert-butoxycarbonyl)piperidin-4-yl]-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 3240935
(5-fluoro-2-hydroxyphenyl)(3-methyl-1-phenyl-1H-pyrazolo[3,4-b]pyridin-5-yl)methanone
CID 4884005
Ethyl 4-[3-(diethylaminomethyl)-4-hydroxyanilino]-1,3-diphenylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 6918790
Ethyl 2-(4-methylphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 9551527
Ethyl 4-(4-hydroxyanilino)-1,3-diphenylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 11476465
Ethyl 2-methyl-7-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 754757
6-(4-Methoxyphenyl)-3-methyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 2088728
[1-(4,6-Dimethylpyrimidin-2-yl)pyrazol-4-yl]-(5-fluoro-2-hydroxyphenyl)methanone
CID 2387252

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(5-fluoro-2-hydroxyphenyl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The IUPAC name of ethyl 2-[2-(5-fluoro-2-hydroxyphenyl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate (CID 140762116) is ethyl 2-[2-(5-fluoro-2-hydroxyphenyl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate.
What is the SMILES notation for ethyl 2-[2-(5-fluoro-2-hydroxyphenyl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The canonical SMILES for ethyl 2-[2-(5-fluoro-2-hydroxyphenyl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate is CCOC(=O)c1c(CCc2cc(F)ccc2O)nn2cccnc12.
What is the InChIKey of ethyl 2-[2-(5-fluoro-2-hydroxyphenyl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The InChIKey is OKGZQSBKPFMJKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O3/c1-2-24-17(23)15-13(20-21-9-3-8-19-16(15)21)6-4-11-10-12(18)5-7-14(11)22/h3,5,7-10,22H,2,4,6H2,1H3.
What are the key properties of ethyl 2-[2-(5-fluoro-2-hydroxyphenyl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate?
ethyl 2-[2-(5-fluoro-2-hydroxyphenyl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate has a molecular weight of 329.33 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(5-fluoro-2-hydroxyphenyl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate is sourced from PubChem (CID 140762116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).