N-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-3-(trifluoromethoxy)benzamide

C24H20F3N5O3 — CID 122310577

IUPACN-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-3-(trifluoromethoxy)benzamide
SMILESCc1cc(C)n(-c2cc(Oc3ccc(NC(=O)c4cccc(OC(F)(F)F)c4)cc3)nc(C)n2)n1
InChIInChI=1S/C24H20F3N5O3/c1-14-11-15(2)32(31-14)21-13-22(29-16(3)28-21)34-19-9-7-18(8-10-19)30-23(33)17-5-4-6-20(12-17)35-24(25,26)27/h4-13H,1-3H3,(H,30,33)
InChIKeyIEHOKCZLSAJYIK-UHFFFAOYSA-N
MW483.45 g/mol
LogP5.53
Rot. Bonds6

About N-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-3-(trifluoromethoxy)benzamide

N-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-3-(trifluoromethoxy)benzamide (PubChem CID 122310577) has the molecular formula C24H20F3N5O3 and a molecular weight of 483.45 g/mol. Its IUPAC name is N-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-3-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-3-(trifluoromethoxy)benzamide
PubChem CID122310577
Molecular FormulaC24H20F3N5O3
Molecular Weight483.45 g/mol
Exact Mass483.15
IUPAC NameN-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-3-(trifluoromethoxy)benzamide
SMILESCc1cc(C)n(-c2cc(Oc3ccc(NC(=O)c4cccc(OC(F)(F)F)c4)cc3)nc(C)n2)n1
InChIInChI=1S/C24H20F3N5O3/c1-14-11-15(2)32(31-14)21-13-22(29-16(3)28-21)34-19-9-7-18(8-10-19)30-23(33)17-5-4-6-20(12-17)35-24(25,26)27/h4-13H,1-3H3,(H,30,33)
InChIKeyIEHOKCZLSAJYIK-UHFFFAOYSA-N
XLogP5.53
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.45
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-3-(4-fluorophenoxy)benzamide
CID 122310602
N-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-3,5-dinitrobenzamide
CID 122310691
N-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-2-phenoxybenzamide
CID 122310503
N-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-2,3,4-trifluorobenzamide
CID 122310584
2-chloro-N-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-6-fluorobenzamide
CID 122310357
1-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 122310680
N-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 122310598
N-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]-4-(trifluoromethoxy)benzamide
CID 122313208
N-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 122310563
1-(2-chlorophenyl)-3-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]urea
CID 122310417
N-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]cyclohexanecarboxamide
CID 122310332
3-iodo-N-[4-[2-methyl-6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzamide
CID 122311065

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-3-(trifluoromethoxy)benzamide?
The IUPAC name of N-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-3-(trifluoromethoxy)benzamide (CID 122310577) is N-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-3-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-3-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-3-(trifluoromethoxy)benzamide is Cc1cc(C)n(-c2cc(Oc3ccc(NC(=O)c4cccc(OC(F)(F)F)c4)cc3)nc(C)n2)n1.
What is the InChIKey of N-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-3-(trifluoromethoxy)benzamide?
The InChIKey is IEHOKCZLSAJYIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N5O3/c1-14-11-15(2)32(31-14)21-13-22(29-16(3)28-21)34-19-9-7-18(8-10-19)30-23(33)17-5-4-6-20(12-17)35-24(25,26)27/h4-13H,1-3H3,(H,30,33).
What are the key properties of N-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-3-(trifluoromethoxy)benzamide?
N-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-3-(trifluoromethoxy)benzamide has a molecular weight of 483.45 g/mol, XLogP of 5.53, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-3-(trifluoromethoxy)benzamide is sourced from PubChem (CID 122310577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).