5-[(1-methylpyrazol-4-yl)methyl]-2-[2-[4-[4-(trifluoromethyl)phenoxy]phenyl]ethoxy]-1H-pyrimidin-6-one

C24H21F3N4O3 — CID 67776032

IUPAC5-[(1-methylpyrazol-4-yl)methyl]-2-[2-[4-[4-(trifluoromethyl)phenoxy]phenyl]ethoxy]-1H-pyrimidin-6-one
SMILESCn1cc(Cc2cnc(OCCc3ccc(Oc4ccc(C(F)(F)F)cc4)cc3)[nH]c2=O)cn1
InChIInChI=1S/C24H21F3N4O3/c1-31-15-17(13-29-31)12-18-14-28-23(30-22(18)32)33-11-10-16-2-6-20(7-3-16)34-21-8-4-19(5-9-21)24(25,26)27/h2-9,13-15H,10-12H2,1H3,(H,28,30,32)
InChIKeyYLLDHFVELYVBTR-UHFFFAOYSA-N
MW470.45 g/mol
LogP4.53
Rot. Bonds8

About 5-[(1-methylpyrazol-4-yl)methyl]-2-[2-[4-[4-(trifluoromethyl)phenoxy]phenyl]ethoxy]-1H-pyrimidin-6-one

5-[(1-methylpyrazol-4-yl)methyl]-2-[2-[4-[4-(trifluoromethyl)phenoxy]phenyl]ethoxy]-1H-pyrimidin-6-one (PubChem CID 67776032) has the molecular formula C24H21F3N4O3 and a molecular weight of 470.45 g/mol. Its IUPAC name is 5-[(1-methylpyrazol-4-yl)methyl]-2-[2-[4-[4-(trifluoromethyl)phenoxy]phenyl]ethoxy]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-[(1-methylpyrazol-4-yl)methyl]-2-[2-[4-[4-(trifluoromethyl)phenoxy]phenyl]ethoxy]-1H-pyrimidin-6-one
PubChem CID67776032
Molecular FormulaC24H21F3N4O3
Molecular Weight470.45 g/mol
Exact Mass470.16
IUPAC Name5-[(1-methylpyrazol-4-yl)methyl]-2-[2-[4-[4-(trifluoromethyl)phenoxy]phenyl]ethoxy]-1H-pyrimidin-6-one
SMILESCn1cc(Cc2cnc(OCCc3ccc(Oc4ccc(C(F)(F)F)cc4)cc3)[nH]c2=O)cn1
InChIInChI=1S/C24H21F3N4O3/c1-31-15-17(13-29-31)12-18-14-28-23(30-22(18)32)33-11-10-16-2-6-20(7-3-16)34-21-8-4-19(5-9-21)24(25,26)27/h2-9,13-15H,10-12H2,1H3,(H,28,30,32)
InChIKeyYLLDHFVELYVBTR-UHFFFAOYSA-N
XLogP4.53
TPSA82.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.45
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]ethoxy]-5-[(2-ethylpyrimidin-5-yl)methyl]-1H-pyrimidin-6-one
CID 67952495
5-(pyrimidin-5-ylmethyl)-2-[2-[4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethoxy]-1H-pyrimidin-6-one
CID 67776475
2-[2-[4-[4-amino-3-(trifluoromethoxy)phenoxy]phenyl]ethoxy]-5-ethyl-1H-pyrimidin-6-one
CID 118486546
2-[[6-methyl-4-[4-methyl-3-(trifluoromethyl)phenoxy]cyclohexa-1,3-dien-1-yl]methylamino]-5-[(1-methylpyrazol-4-yl)methyl]-1H-pyrimidin-6-one
CID 148545168
2-[2-[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]ethylsulfanyl]-1-methyl-5-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-one
CID 67775917
2-[4-chloro-3-(trifluoromethyl)phenoxy]-5-[2-[[5-[(1-methylpyrazol-4-yl)methyl]-6-oxo-1H-pyrimidin-2-yl]sulfanyl]ethyl]benzonitrile
CID 67774980
4-(1-methylpyrazol-4-yl)-1-[4-(trifluoromethyl)phenyl]butan-2-one
CID 103023880
2-[4-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]ethanol
CID 103844540
5-ethyl-1-methyl-2-[2-[4-[2-(trifluoromethyl)pyrimidin-5-yl]oxyphenyl]ethoxy]pyrimidin-4-one
CID 67775494
2-[[4-[4-(trifluoromethyl)phenoxy]phenyl]methyl]-1,2,4-triazine-3,5-dione
CID 167252407
2-[2-[4-[4-chloro-3-(trifluoromethyl)phenoxy]-3-fluorophenyl]ethoxy]-5-(pyrimidin-5-ylmethyl)-1H-pyrimidin-6-one;2,2,2-trifluoroacetic acid
CID 86666234
4-[2-(4-methoxyphenyl)ethoxy]-1-methylpyrazole
CID 116794086

Frequently Asked Questions

What is the IUPAC name of 5-[(1-methylpyrazol-4-yl)methyl]-2-[2-[4-[4-(trifluoromethyl)phenoxy]phenyl]ethoxy]-1H-pyrimidin-6-one?
The IUPAC name of 5-[(1-methylpyrazol-4-yl)methyl]-2-[2-[4-[4-(trifluoromethyl)phenoxy]phenyl]ethoxy]-1H-pyrimidin-6-one (CID 67776032) is 5-[(1-methylpyrazol-4-yl)methyl]-2-[2-[4-[4-(trifluoromethyl)phenoxy]phenyl]ethoxy]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-[(1-methylpyrazol-4-yl)methyl]-2-[2-[4-[4-(trifluoromethyl)phenoxy]phenyl]ethoxy]-1H-pyrimidin-6-one?
The canonical SMILES for 5-[(1-methylpyrazol-4-yl)methyl]-2-[2-[4-[4-(trifluoromethyl)phenoxy]phenyl]ethoxy]-1H-pyrimidin-6-one is Cn1cc(Cc2cnc(OCCc3ccc(Oc4ccc(C(F)(F)F)cc4)cc3)[nH]c2=O)cn1.
What is the InChIKey of 5-[(1-methylpyrazol-4-yl)methyl]-2-[2-[4-[4-(trifluoromethyl)phenoxy]phenyl]ethoxy]-1H-pyrimidin-6-one?
The InChIKey is YLLDHFVELYVBTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N4O3/c1-31-15-17(13-29-31)12-18-14-28-23(30-22(18)32)33-11-10-16-2-6-20(7-3-16)34-21-8-4-19(5-9-21)24(25,26)27/h2-9,13-15H,10-12H2,1H3,(H,28,30,32).
What are the key properties of 5-[(1-methylpyrazol-4-yl)methyl]-2-[2-[4-[4-(trifluoromethyl)phenoxy]phenyl]ethoxy]-1H-pyrimidin-6-one?
5-[(1-methylpyrazol-4-yl)methyl]-2-[2-[4-[4-(trifluoromethyl)phenoxy]phenyl]ethoxy]-1H-pyrimidin-6-one has a molecular weight of 470.45 g/mol, XLogP of 4.53, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-methylpyrazol-4-yl)methyl]-2-[2-[4-[4-(trifluoromethyl)phenoxy]phenyl]ethoxy]-1H-pyrimidin-6-one is sourced from PubChem (CID 67776032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).