3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-[4-(trifluoromethoxy)phenyl]propanamide

C20H20F3N5O3 — CID 135885896

IUPAC3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-[4-(trifluoromethoxy)phenyl]propanamide
SMILESCc1cc(=O)[nH]c(-n2nc(C)c(CCC(=O)Nc3ccc(OC(F)(F)F)cc3)c2C)n1
InChIInChI=1S/C20H20F3N5O3/c1-11-10-18(30)26-19(24-11)28-13(3)16(12(2)27-28)8-9-17(29)25-14-4-6-15(7-5-14)31-20(21,22)23/h4-7,10H,8-9H2,1-3H3,(H,25,29)(H,24,26,30)
InChIKeyBGRHNUFSLJOARX-UHFFFAOYSA-N
MW435.41 g/mol
LogP3.35
Rot. Bonds6

About 3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-[4-(trifluoromethoxy)phenyl]propanamide

3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-[4-(trifluoromethoxy)phenyl]propanamide (PubChem CID 135885896) has the molecular formula C20H20F3N5O3 and a molecular weight of 435.41 g/mol. Its IUPAC name is 3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-[4-(trifluoromethoxy)phenyl]propanamide.

Molecular Properties

Compound Name3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-[4-(trifluoromethoxy)phenyl]propanamide
PubChem CID135885896
Molecular FormulaC20H20F3N5O3
Molecular Weight435.41 g/mol
Exact Mass435.15
IUPAC Name3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-[4-(trifluoromethoxy)phenyl]propanamide
SMILESCc1cc(=O)[nH]c(-n2nc(C)c(CCC(=O)Nc3ccc(OC(F)(F)F)cc3)c2C)n1
InChIInChI=1S/C20H20F3N5O3/c1-11-10-18(30)26-19(24-11)28-13(3)16(12(2)27-28)8-9-17(29)25-14-4-6-15(7-5-14)31-20(21,22)23/h4-7,10H,8-9H2,1-3H3,(H,25,29)(H,24,26,30)
InChIKeyBGRHNUFSLJOARX-UHFFFAOYSA-N
XLogP3.35
TPSA101.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.41
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-(4-propan-2-ylphenyl)propanamide
CID 135885892
3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]propanamide
CID 135885938
3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 9399075
3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-(2-methoxy-5-methylphenyl)propanamide
CID 135885940
2-[3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]propanoylamino]benzamide
CID 135885950
3-[3,5-dimethyl-1-(6-morpholin-4-ylpyridazin-3-yl)pyrazol-4-yl]-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 46339989
2-[4-[4-(2-fluorophenyl)-3-oxobutyl]-3,5-dimethylpyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one
CID 161279997
methyl 4-[3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]propanoylamino]benzoate
CID 9068843
3-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]-N-(2,3,4-trifluorophenyl)propanamide
CID 135892844
3-[3,5-dimethyl-1-(6-piperidin-1-ylpyridazin-3-yl)pyrazol-4-yl]-N-(4-methoxyphenyl)propanamide
CID 20946897
3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 26645257
N-(3,4-dimethylphenyl)-3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]propanamide
CID 9039927

Frequently Asked Questions

What is the IUPAC name of 3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-[4-(trifluoromethoxy)phenyl]propanamide?
The IUPAC name of 3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-[4-(trifluoromethoxy)phenyl]propanamide (CID 135885896) is 3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-[4-(trifluoromethoxy)phenyl]propanamide.
What is the SMILES notation for 3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-[4-(trifluoromethoxy)phenyl]propanamide?
The canonical SMILES for 3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-[4-(trifluoromethoxy)phenyl]propanamide is Cc1cc(=O)[nH]c(-n2nc(C)c(CCC(=O)Nc3ccc(OC(F)(F)F)cc3)c2C)n1.
What is the InChIKey of 3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-[4-(trifluoromethoxy)phenyl]propanamide?
The InChIKey is BGRHNUFSLJOARX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N5O3/c1-11-10-18(30)26-19(24-11)28-13(3)16(12(2)27-28)8-9-17(29)25-14-4-6-15(7-5-14)31-20(21,22)23/h4-7,10H,8-9H2,1-3H3,(H,25,29)(H,24,26,30).
What are the key properties of 3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-[4-(trifluoromethoxy)phenyl]propanamide?
3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-[4-(trifluoromethoxy)phenyl]propanamide has a molecular weight of 435.41 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-[4-(trifluoromethoxy)phenyl]propanamide is sourced from PubChem (CID 135885896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).