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

C18H18FN5O2 — CID 167788312

IUPACN-[1-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(2-fluoro-3-hydroxyphenyl)acetamide
SMILESCc1cc(C)nc(-n2nc(NC(=O)Cc3cccc(O)c3F)cc2C)n1
InChIInChI=1S/C18H18FN5O2/c1-10-7-11(2)21-18(20-10)24-12(3)8-15(23-24)22-16(26)9-13-5-4-6-14(25)17(13)19/h4-8,25H,9H2,1-3H3,(H,22,23,26)
InChIKeyBDMUWSUASWTQOJ-UHFFFAOYSA-N
MW355.37 g/mol
LogP2.61
Rot. Bonds4

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

N-[1-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(2-fluoro-3-hydroxyphenyl)acetamide (PubChem CID 167788312) has the molecular formula C18H18FN5O2 and a molecular weight of 355.37 g/mol. Its IUPAC name is N-[1-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(2-fluoro-3-hydroxyphenyl)acetamide.

Molecular Properties

Compound NameN-[1-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(2-fluoro-3-hydroxyphenyl)acetamide
PubChem CID167788312
Molecular FormulaC18H18FN5O2
Molecular Weight355.37 g/mol
Exact Mass355.14
IUPAC NameN-[1-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(2-fluoro-3-hydroxyphenyl)acetamide
SMILESCc1cc(C)nc(-n2nc(NC(=O)Cc3cccc(O)c3F)cc2C)n1
InChIInChI=1S/C18H18FN5O2/c1-10-7-11(2)21-18(20-10)24-12(3)8-15(23-24)22-16(26)9-13-5-4-6-14(25)17(13)19/h4-8,25H,9H2,1-3H3,(H,22,23,26)
InChIKeyBDMUWSUASWTQOJ-UHFFFAOYSA-N
XLogP2.61
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[1-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(2-fluoro-3-hydroxyphenyl)acetamide with MolForge

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Related Compounds

2-(3-bromo-2-fluorophenyl)-N-(4,6-dimethylpyrimidin-2-yl)acetamide
CID 146022543
N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-2-(2-hydroxyphenyl)acetamide
CID 52847994
N-[1-(3-fluorophenyl)-5-methylpyrazol-3-yl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 84596558
2-(2-fluoro-3-hydroxyphenyl)acetic acid
CID 23074563
N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-3,3-diphenylpropanamide
CID 2359697
N-[2-(4,6-dimethylpyrimidin-2-yl)pyrazol-3-yl]-2-(1H-indol-3-yl)acetamide
CID 122148683
[2-[[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl] 3-(2-fluorophenyl)propanoate
CID 55368214
2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]-N-[2-(3-fluorophenyl)ethyl]acetamide
CID 31956505
2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]-N-[3-(methanesulfonamido)phenyl]acetamide
CID 30854735
N-[3-(benzenesulfonamido)phenyl]-2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 55705965
2-[2-(aminomethyl)phenyl]-N-(4,6-dimethylpyrimidin-2-yl)acetamide
CID 81317594
N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-methylpropanamide
CID 2332242

Frequently Asked Questions

What is the IUPAC name of N-[1-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(2-fluoro-3-hydroxyphenyl)acetamide?
The IUPAC name of N-[1-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(2-fluoro-3-hydroxyphenyl)acetamide (CID 167788312) is N-[1-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(2-fluoro-3-hydroxyphenyl)acetamide.
What is the SMILES notation for N-[1-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(2-fluoro-3-hydroxyphenyl)acetamide?
The canonical SMILES for N-[1-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(2-fluoro-3-hydroxyphenyl)acetamide is Cc1cc(C)nc(-n2nc(NC(=O)Cc3cccc(O)c3F)cc2C)n1.
What is the InChIKey of N-[1-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(2-fluoro-3-hydroxyphenyl)acetamide?
The InChIKey is BDMUWSUASWTQOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5O2/c1-10-7-11(2)21-18(20-10)24-12(3)8-15(23-24)22-16(26)9-13-5-4-6-14(25)17(13)19/h4-8,25H,9H2,1-3H3,(H,22,23,26).
What are the key properties of N-[1-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(2-fluoro-3-hydroxyphenyl)acetamide?
N-[1-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(2-fluoro-3-hydroxyphenyl)acetamide has a molecular weight of 355.37 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(2-fluoro-3-hydroxyphenyl)acetamide is sourced from PubChem (CID 167788312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).