[2-ethyl-3-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]-(2-hydroxyphenyl)methanone

C21H16FN3O2 — CID 1447960

IUPAC[2-ethyl-3-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]-(2-hydroxyphenyl)methanone
SMILESCCc1nn2cc(C(=O)c3ccccc3O)cnc2c1-c1ccc(F)cc1
InChIInChI=1S/C21H16FN3O2/c1-2-17-19(13-7-9-15(22)10-8-13)21-23-11-14(12-25(21)24-17)20(27)16-5-3-4-6-18(16)26/h3-12,26H,2H2,1H3
InChIKeyPWLMWPIRIOQEIF-UHFFFAOYSA-N
MW361.38 g/mol
LogP4.03
Rot. Bonds4

About [2-ethyl-3-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]-(2-hydroxyphenyl)methanone

[2-ethyl-3-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]-(2-hydroxyphenyl)methanone (PubChem CID 1447960) has the molecular formula C21H16FN3O2 and a molecular weight of 361.38 g/mol. Its IUPAC name is [2-ethyl-3-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]-(2-hydroxyphenyl)methanone.

Molecular Properties

Compound Name[2-ethyl-3-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]-(2-hydroxyphenyl)methanone
PubChem CID1447960
Molecular FormulaC21H16FN3O2
Molecular Weight361.38 g/mol
Exact Mass361.12
IUPAC Name[2-ethyl-3-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]-(2-hydroxyphenyl)methanone
SMILESCCc1nn2cc(C(=O)c3ccccc3O)cnc2c1-c1ccc(F)cc1
InChIInChI=1S/C21H16FN3O2/c1-2-17-19(13-7-9-15(22)10-8-13)21-23-11-14(12-25(21)24-17)20(27)16-5-3-4-6-18(16)26/h3-12,26H,2H2,1H3
InChIKeyPWLMWPIRIOQEIF-UHFFFAOYSA-N
XLogP4.03
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.38
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2-hydroxyphenyl)[3-methyl-1-(pyridin-2-yl)-1H-pyrazolo[3,4-b]pyridin-5-yl]methanone
CID 16259746
(1,3-Dimethylpyrazolo[3,4-b]pyridin-5-yl)-(2-hydroxyphenyl)methanone
CID 2125445
(1,3-Dimethylpyrazolo[3,4-b]pyridin-5-yl)-(2-hydroxy-5-methylphenyl)methanone
CID 4884002
(5-Fluoro-2-hydroxyphenyl)-[1-(2-hydroxyethyl)-3-methylpyrazolo[3,4-b]pyridin-5-yl]methanone
CID 4884014
(2-hydroxy-5-methylphenyl)(3-methyl-1-phenyl-1H-pyrazolo[3,4-b]pyridin-5-yl)methanone
CID 901814
(5-chloro-2-hydroxyphenyl)(3-methyl-1-phenyl-1H-pyrazolo[3,4-b]pyridin-5-yl)methanone
CID 1211939
(2-hydroxyphenyl)(3-methyl-1-phenyl-1H-pyrazolo[3,4-b]pyridin-5-yl)methanone
CID 1211941
(5-fluoro-2-hydroxyphenyl)(3-methyl-1-phenyl-1H-pyrazolo[3,4-b]pyridin-5-yl)methanone
CID 4884005
(5-fluoro-2-hydroxyphenyl)-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methanone
CID 2094064
(2-Hydroxyphenyl)(3-methyl-1H-pyrazolo[3,4-b]pyridine-5-yl) ketone
CID 2999473
N-[(1S)-2-amino-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]-7-cyclohexyl-6-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 15958192
[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 [2-ethyl-3-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]-(2-hydroxyphenyl)methanone?
The IUPAC name of [2-ethyl-3-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]-(2-hydroxyphenyl)methanone (CID 1447960) is [2-ethyl-3-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]-(2-hydroxyphenyl)methanone.
What is the SMILES notation for [2-ethyl-3-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]-(2-hydroxyphenyl)methanone?
The canonical SMILES for [2-ethyl-3-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]-(2-hydroxyphenyl)methanone is CCc1nn2cc(C(=O)c3ccccc3O)cnc2c1-c1ccc(F)cc1.
What is the InChIKey of [2-ethyl-3-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]-(2-hydroxyphenyl)methanone?
The InChIKey is PWLMWPIRIOQEIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3O2/c1-2-17-19(13-7-9-15(22)10-8-13)21-23-11-14(12-25(21)24-17)20(27)16-5-3-4-6-18(16)26/h3-12,26H,2H2,1H3.
What are the key properties of [2-ethyl-3-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]-(2-hydroxyphenyl)methanone?
[2-ethyl-3-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]-(2-hydroxyphenyl)methanone has a molecular weight of 361.38 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-ethyl-3-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]-(2-hydroxyphenyl)methanone is sourced from PubChem (CID 1447960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).