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

C22H18FN3O2 — CID 1447962

IUPAC[2-ethyl-3-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]-(2-hydroxy-5-methylphenyl)methanone
SMILESCCc1nn2cc(C(=O)c3cc(C)ccc3O)cnc2c1-c1ccc(F)cc1
InChIInChI=1S/C22H18FN3O2/c1-3-18-20(14-5-7-16(23)8-6-14)22-24-11-15(12-26(22)25-18)21(28)17-10-13(2)4-9-19(17)27/h4-12,27H,3H2,1-2H3
InChIKeyLYYLFDLQHLZBGK-UHFFFAOYSA-N
MW375.40 g/mol
LogP4.34
Rot. Bonds4

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

[2-ethyl-3-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]-(2-hydroxy-5-methylphenyl)methanone (PubChem CID 1447962) has the molecular formula C22H18FN3O2 and a molecular weight of 375.40 g/mol. Its IUPAC name is [2-ethyl-3-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]-(2-hydroxy-5-methylphenyl)methanone.

Molecular Properties

Compound Name[2-ethyl-3-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]-(2-hydroxy-5-methylphenyl)methanone
PubChem CID1447962
Molecular FormulaC22H18FN3O2
Molecular Weight375.40 g/mol
Exact Mass375.14
IUPAC Name[2-ethyl-3-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]-(2-hydroxy-5-methylphenyl)methanone
SMILESCCc1nn2cc(C(=O)c3cc(C)ccc3O)cnc2c1-c1ccc(F)cc1
InChIInChI=1S/C22H18FN3O2/c1-3-18-20(14-5-7-16(23)8-6-14)22-24-11-15(12-26(22)25-18)21(28)17-10-13(2)4-9-19(17)27/h4-12,27H,3H2,1-2H3
InChIKeyLYYLFDLQHLZBGK-UHFFFAOYSA-N
XLogP4.34
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.40
LogP ≤ 54.34
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-hydroxy-5-methylphenyl)methanone?
The IUPAC name of [2-ethyl-3-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]-(2-hydroxy-5-methylphenyl)methanone (CID 1447962) is [2-ethyl-3-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]-(2-hydroxy-5-methylphenyl)methanone.
What is the SMILES notation for [2-ethyl-3-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]-(2-hydroxy-5-methylphenyl)methanone?
The canonical SMILES for [2-ethyl-3-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]-(2-hydroxy-5-methylphenyl)methanone is CCc1nn2cc(C(=O)c3cc(C)ccc3O)cnc2c1-c1ccc(F)cc1.
What is the InChIKey of [2-ethyl-3-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]-(2-hydroxy-5-methylphenyl)methanone?
The InChIKey is LYYLFDLQHLZBGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3O2/c1-3-18-20(14-5-7-16(23)8-6-14)22-24-11-15(12-26(22)25-18)21(28)17-10-13(2)4-9-19(17)27/h4-12,27H,3H2,1-2H3.
What are the key properties of [2-ethyl-3-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]-(2-hydroxy-5-methylphenyl)methanone?
[2-ethyl-3-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]-(2-hydroxy-5-methylphenyl)methanone has a molecular weight of 375.40 g/mol, XLogP of 4.34, 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-hydroxy-5-methylphenyl)methanone is sourced from PubChem (CID 1447962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).