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

C20H14FN3O2 — CID 16669041

IUPAC[3-(4-fluorophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-6-yl]-(2-hydroxyphenyl)methanone
SMILESCc1nn2cc(C(=O)c3ccccc3O)cnc2c1-c1ccc(F)cc1
InChIInChI=1S/C20H14FN3O2/c1-12-18(13-6-8-15(21)9-7-13)20-22-10-14(11-24(20)23-12)19(26)16-4-2-3-5-17(16)25/h2-11,25H,1H3
InChIKeyIXPGQVWWJNQKPC-UHFFFAOYSA-N
MW347.35 g/mol
LogP3.78
Rot. Bonds3

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

[3-(4-fluorophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-6-yl]-(2-hydroxyphenyl)methanone (PubChem CID 16669041) has the molecular formula C20H14FN3O2 and a molecular weight of 347.35 g/mol. Its IUPAC name is [3-(4-fluorophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-6-yl]-(2-hydroxyphenyl)methanone.

Molecular Properties

Compound Name[3-(4-fluorophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-6-yl]-(2-hydroxyphenyl)methanone
PubChem CID16669041
Molecular FormulaC20H14FN3O2
Molecular Weight347.35 g/mol
Exact Mass347.11
IUPAC Name[3-(4-fluorophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-6-yl]-(2-hydroxyphenyl)methanone
SMILESCc1nn2cc(C(=O)c3ccccc3O)cnc2c1-c1ccc(F)cc1
InChIInChI=1S/C20H14FN3O2/c1-12-18(13-6-8-15(21)9-7-13)20-22-10-14(11-24(20)23-12)19(26)16-4-2-3-5-17(16)25/h2-11,25H,1H3
InChIKeyIXPGQVWWJNQKPC-UHFFFAOYSA-N
XLogP3.78
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.35
LogP ≤ 53.78
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 [3-(4-fluorophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-6-yl]-(2-hydroxyphenyl)methanone?
The IUPAC name of [3-(4-fluorophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-6-yl]-(2-hydroxyphenyl)methanone (CID 16669041) is [3-(4-fluorophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-6-yl]-(2-hydroxyphenyl)methanone.
What is the SMILES notation for [3-(4-fluorophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-6-yl]-(2-hydroxyphenyl)methanone?
The canonical SMILES for [3-(4-fluorophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-6-yl]-(2-hydroxyphenyl)methanone is Cc1nn2cc(C(=O)c3ccccc3O)cnc2c1-c1ccc(F)cc1.
What is the InChIKey of [3-(4-fluorophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-6-yl]-(2-hydroxyphenyl)methanone?
The InChIKey is IXPGQVWWJNQKPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN3O2/c1-12-18(13-6-8-15(21)9-7-13)20-22-10-14(11-24(20)23-12)19(26)16-4-2-3-5-17(16)25/h2-11,25H,1H3.
What are the key properties of [3-(4-fluorophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-6-yl]-(2-hydroxyphenyl)methanone?
[3-(4-fluorophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-6-yl]-(2-hydroxyphenyl)methanone has a molecular weight of 347.35 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluorophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-6-yl]-(2-hydroxyphenyl)methanone is sourced from PubChem (CID 16669041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).