ethyl 2-(2-fluoro-4-hydroxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate

C15H12FN3O3 — CID 174236373

IUPACethyl 2-(2-fluoro-4-hydroxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(O)cc2F)nn2cccnc12
InChIInChI=1S/C15H12FN3O3/c1-2-22-15(21)12-13(10-5-4-9(20)8-11(10)16)18-19-7-3-6-17-14(12)19/h3-8,20H,2H2,1H3
InChIKeyICEDWUSBUKNVDC-UHFFFAOYSA-N
MW301.28 g/mol
LogP2.42
Rot. Bonds3

About ethyl 2-(2-fluoro-4-hydroxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate

ethyl 2-(2-fluoro-4-hydroxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate (PubChem CID 174236373) has the molecular formula C15H12FN3O3 and a molecular weight of 301.28 g/mol. Its IUPAC name is ethyl 2-(2-fluoro-4-hydroxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-(2-fluoro-4-hydroxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
PubChem CID174236373
Molecular FormulaC15H12FN3O3
Molecular Weight301.28 g/mol
Exact Mass301.09
IUPAC Nameethyl 2-(2-fluoro-4-hydroxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(O)cc2F)nn2cccnc12
InChIInChI=1S/C15H12FN3O3/c1-2-22-15(21)12-13(10-5-4-9(20)8-11(10)16)18-19-7-3-6-17-14(12)19/h3-8,20H,2H2,1H3
InChIKeyICEDWUSBUKNVDC-UHFFFAOYSA-N
XLogP2.42
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.28
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 2-(2-fluoro-4-hydroxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-fluoro-4-hydroxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The IUPAC name of ethyl 2-(2-fluoro-4-hydroxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate (CID 174236373) is ethyl 2-(2-fluoro-4-hydroxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate.
What is the SMILES notation for ethyl 2-(2-fluoro-4-hydroxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The canonical SMILES for ethyl 2-(2-fluoro-4-hydroxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate is CCOC(=O)c1c(-c2ccc(O)cc2F)nn2cccnc12.
What is the InChIKey of ethyl 2-(2-fluoro-4-hydroxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The InChIKey is ICEDWUSBUKNVDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O3/c1-2-22-15(21)12-13(10-5-4-9(20)8-11(10)16)18-19-7-3-6-17-14(12)19/h3-8,20H,2H2,1H3.
What are the key properties of ethyl 2-(2-fluoro-4-hydroxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate?
ethyl 2-(2-fluoro-4-hydroxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate has a molecular weight of 301.28 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-fluoro-4-hydroxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate is sourced from PubChem (CID 174236373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).