[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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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).