N-[2-(3,5-dimethylpyrazol-1-yl)-6-(3-fluoro-5-hydroxyphenyl)pyrimidin-4-yl]acetamide

C17H16FN5O2 — CID 44589836

IUPACN-[2-(3,5-dimethylpyrazol-1-yl)-6-(3-fluoro-5-hydroxyphenyl)pyrimidin-4-yl]acetamide
SMILESCC(=O)Nc1cc(-c2cc(O)cc(F)c2)nc(-n2nc(C)cc2C)n1
InChIInChI=1S/C17H16FN5O2/c1-9-4-10(2)23(22-9)17-20-15(8-16(21-17)19-11(3)24)12-5-13(18)7-14(25)6-12/h4-8,25H,1-3H3,(H,19,20,21,24)
InChIKeyCRBWMXJQGWUCTP-UHFFFAOYSA-N
MW341.35 g/mol
LogP2.75
Rot. Bonds3

About N-[2-(3,5-dimethylpyrazol-1-yl)-6-(3-fluoro-5-hydroxyphenyl)pyrimidin-4-yl]acetamide

N-[2-(3,5-dimethylpyrazol-1-yl)-6-(3-fluoro-5-hydroxyphenyl)pyrimidin-4-yl]acetamide (PubChem CID 44589836) has the molecular formula C17H16FN5O2 and a molecular weight of 341.35 g/mol. Its IUPAC name is N-[2-(3,5-dimethylpyrazol-1-yl)-6-(3-fluoro-5-hydroxyphenyl)pyrimidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylpyrazol-1-yl)-6-(3-fluoro-5-hydroxyphenyl)pyrimidin-4-yl]acetamide
PubChem CID44589836
Molecular FormulaC17H16FN5O2
Molecular Weight341.35 g/mol
Exact Mass341.13
IUPAC NameN-[2-(3,5-dimethylpyrazol-1-yl)-6-(3-fluoro-5-hydroxyphenyl)pyrimidin-4-yl]acetamide
SMILESCC(=O)Nc1cc(-c2cc(O)cc(F)c2)nc(-n2nc(C)cc2C)n1
InChIInChI=1S/C17H16FN5O2/c1-9-4-10(2)23(22-9)17-20-15(8-16(21-17)19-11(3)24)12-5-13(18)7-14(25)6-12/h4-8,25H,1-3H3,(H,19,20,21,24)
InChIKeyCRBWMXJQGWUCTP-UHFFFAOYSA-N
XLogP2.75
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.35
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)-6-(3-fluoro-5-hydroxyphenyl)pyrimidin-4-yl]acetamide?
The IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)-6-(3-fluoro-5-hydroxyphenyl)pyrimidin-4-yl]acetamide (CID 44589836) is N-[2-(3,5-dimethylpyrazol-1-yl)-6-(3-fluoro-5-hydroxyphenyl)pyrimidin-4-yl]acetamide.
What is the SMILES notation for N-[2-(3,5-dimethylpyrazol-1-yl)-6-(3-fluoro-5-hydroxyphenyl)pyrimidin-4-yl]acetamide?
The canonical SMILES for N-[2-(3,5-dimethylpyrazol-1-yl)-6-(3-fluoro-5-hydroxyphenyl)pyrimidin-4-yl]acetamide is CC(=O)Nc1cc(-c2cc(O)cc(F)c2)nc(-n2nc(C)cc2C)n1.
What is the InChIKey of N-[2-(3,5-dimethylpyrazol-1-yl)-6-(3-fluoro-5-hydroxyphenyl)pyrimidin-4-yl]acetamide?
The InChIKey is CRBWMXJQGWUCTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN5O2/c1-9-4-10(2)23(22-9)17-20-15(8-16(21-17)19-11(3)24)12-5-13(18)7-14(25)6-12/h4-8,25H,1-3H3,(H,19,20,21,24).
What are the key properties of N-[2-(3,5-dimethylpyrazol-1-yl)-6-(3-fluoro-5-hydroxyphenyl)pyrimidin-4-yl]acetamide?
N-[2-(3,5-dimethylpyrazol-1-yl)-6-(3-fluoro-5-hydroxyphenyl)pyrimidin-4-yl]acetamide has a molecular weight of 341.35 g/mol, XLogP of 2.75, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylpyrazol-1-yl)-6-(3-fluoro-5-hydroxyphenyl)pyrimidin-4-yl]acetamide is sourced from PubChem (CID 44589836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).