[1-(4,6-dimethylpyrimidin-2-yl)pyrazol-4-yl]-(5-fluoro-2-hydroxyphenyl)methanone

C16H13FN4O2 — CID 2387252

IUPAC[1-(4,6-dimethylpyrimidin-2-yl)pyrazol-4-yl]-(5-fluoro-2-hydroxyphenyl)methanone
SMILESCc1cc(C)nc(-n2cc(C(=O)c3cc(F)ccc3O)cn2)n1
InChIInChI=1S/C16H13FN4O2/c1-9-5-10(2)20-16(19-9)21-8-11(7-18-21)15(23)13-6-12(17)3-4-14(13)22/h3-8,22H,1-2H3
InChIKeyOUPHHIYACUSWCF-UHFFFAOYSA-N
MW312.30 g/mol
LogP2.35
Rot. Bonds3

About [1-(4,6-dimethylpyrimidin-2-yl)pyrazol-4-yl]-(5-fluoro-2-hydroxyphenyl)methanone

[1-(4,6-dimethylpyrimidin-2-yl)pyrazol-4-yl]-(5-fluoro-2-hydroxyphenyl)methanone (PubChem CID 2387252) has the molecular formula C16H13FN4O2 and a molecular weight of 312.30 g/mol. Its IUPAC name is [1-(4,6-dimethylpyrimidin-2-yl)pyrazol-4-yl]-(5-fluoro-2-hydroxyphenyl)methanone.

Molecular Properties

Compound Name[1-(4,6-dimethylpyrimidin-2-yl)pyrazol-4-yl]-(5-fluoro-2-hydroxyphenyl)methanone
PubChem CID2387252
Molecular FormulaC16H13FN4O2
Molecular Weight312.30 g/mol
Exact Mass312.10
IUPAC Name[1-(4,6-dimethylpyrimidin-2-yl)pyrazol-4-yl]-(5-fluoro-2-hydroxyphenyl)methanone
SMILESCc1cc(C)nc(-n2cc(C(=O)c3cc(F)ccc3O)cn2)n1
InChIInChI=1S/C16H13FN4O2/c1-9-5-10(2)20-16(19-9)21-8-11(7-18-21)15(23)13-6-12(17)3-4-14(13)22/h3-8,22H,1-2H3
InChIKeyOUPHHIYACUSWCF-UHFFFAOYSA-N
XLogP2.35
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.30
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-(4,6-dimethylpyrimidin-2-yl)pyrazol-4-yl]-(5-fluoro-2-hydroxyphenyl)methanone?
The IUPAC name of [1-(4,6-dimethylpyrimidin-2-yl)pyrazol-4-yl]-(5-fluoro-2-hydroxyphenyl)methanone (CID 2387252) is [1-(4,6-dimethylpyrimidin-2-yl)pyrazol-4-yl]-(5-fluoro-2-hydroxyphenyl)methanone.
What is the SMILES notation for [1-(4,6-dimethylpyrimidin-2-yl)pyrazol-4-yl]-(5-fluoro-2-hydroxyphenyl)methanone?
The canonical SMILES for [1-(4,6-dimethylpyrimidin-2-yl)pyrazol-4-yl]-(5-fluoro-2-hydroxyphenyl)methanone is Cc1cc(C)nc(-n2cc(C(=O)c3cc(F)ccc3O)cn2)n1.
What is the InChIKey of [1-(4,6-dimethylpyrimidin-2-yl)pyrazol-4-yl]-(5-fluoro-2-hydroxyphenyl)methanone?
The InChIKey is OUPHHIYACUSWCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN4O2/c1-9-5-10(2)20-16(19-9)21-8-11(7-18-21)15(23)13-6-12(17)3-4-14(13)22/h3-8,22H,1-2H3.
What are the key properties of [1-(4,6-dimethylpyrimidin-2-yl)pyrazol-4-yl]-(5-fluoro-2-hydroxyphenyl)methanone?
[1-(4,6-dimethylpyrimidin-2-yl)pyrazol-4-yl]-(5-fluoro-2-hydroxyphenyl)methanone has a molecular weight of 312.30 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4,6-dimethylpyrimidin-2-yl)pyrazol-4-yl]-(5-fluoro-2-hydroxyphenyl)methanone is sourced from PubChem (CID 2387252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).