N-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]-2-(trifluoromethyl)benzamide

C22H16F3N5O2 — CID 122309981

IUPACN-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]-2-(trifluoromethyl)benzamide
SMILESCc1nc(Oc2ccc(NC(=O)c3ccccc3C(F)(F)F)cc2)cc(-n2cccn2)n1
InChIInChI=1S/C22H16F3N5O2/c1-14-27-19(30-12-4-11-26-30)13-20(28-14)32-16-9-7-15(8-10-16)29-21(31)17-5-2-3-6-18(17)22(23,24)25/h2-13H,1H3,(H,29,31)
InChIKeyYEKYNOQEMHYICP-UHFFFAOYSA-N
MW439.40 g/mol
LogP5.03
Rot. Bonds5

About N-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]-2-(trifluoromethyl)benzamide

N-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]-2-(trifluoromethyl)benzamide (PubChem CID 122309981) has the molecular formula C22H16F3N5O2 and a molecular weight of 439.40 g/mol. Its IUPAC name is N-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]-2-(trifluoromethyl)benzamide
PubChem CID122309981
Molecular FormulaC22H16F3N5O2
Molecular Weight439.40 g/mol
Exact Mass439.13
IUPAC NameN-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]-2-(trifluoromethyl)benzamide
SMILESCc1nc(Oc2ccc(NC(=O)c3ccccc3C(F)(F)F)cc2)cc(-n2cccn2)n1
InChIInChI=1S/C22H16F3N5O2/c1-14-27-19(30-12-4-11-26-30)13-20(28-14)32-16-9-7-15(8-10-16)29-21(31)17-5-2-3-6-18(17)22(23,24)25/h2-13H,1H3,(H,29,31)
InChIKeyYEKYNOQEMHYICP-UHFFFAOYSA-N
XLogP5.03
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.40
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-fluoro-N-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]benzamide
CID 122309974
4-bromo-N-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]benzamide
CID 122310307
1-(3,5-dimethylphenyl)-3-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]urea
CID 122310044
3,5-dimethyl-N-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]-1,2-oxazole-4-carboxamide
CID 122310186
N-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]cyclopropanecarboxamide
CID 122310015
1-(4-ethoxyphenyl)-3-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]urea
CID 122310042
2-(4-methylphenoxy)-N-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]acetamide
CID 122310144
N-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]-2-phenylbutanamide
CID 122310017
2-methyl-N-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]benzamide
CID 122309202
3-cyclopentyl-N-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]propanamide
CID 122310132
1-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 122310300
1-[4-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 122290550

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]-2-(trifluoromethyl)benzamide (CID 122309981) is N-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]-2-(trifluoromethyl)benzamide is Cc1nc(Oc2ccc(NC(=O)c3ccccc3C(F)(F)F)cc2)cc(-n2cccn2)n1.
What is the InChIKey of N-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]-2-(trifluoromethyl)benzamide?
The InChIKey is YEKYNOQEMHYICP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F3N5O2/c1-14-27-19(30-12-4-11-26-30)13-20(28-14)32-16-9-7-15(8-10-16)29-21(31)17-5-2-3-6-18(17)22(23,24)25/h2-13H,1H3,(H,29,31).
What are the key properties of N-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]-2-(trifluoromethyl)benzamide?
N-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]-2-(trifluoromethyl)benzamide has a molecular weight of 439.40 g/mol, XLogP of 5.03, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 122309981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).