4-[2-(4-benzylphenyl)ethoxy]-5-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrimidin-2-one

C24H23FN4O2 — CID 67966646

IUPAC4-[2-(4-benzylphenyl)ethoxy]-5-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrimidin-2-one
SMILESCn1cc(Cn2cc(F)c(OCCc3ccc(Cc4ccccc4)cc3)nc2=O)cn1
InChIInChI=1S/C24H23FN4O2/c1-28-15-21(14-26-28)16-29-17-22(25)23(27-24(29)30)31-12-11-18-7-9-20(10-8-18)13-19-5-3-2-4-6-19/h2-10,14-15,17H,11-13,16H2,1H3
InChIKeyFBSRNSQSERULEU-UHFFFAOYSA-N
MW418.47 g/mol
LogP3.38
Rot. Bonds8

About 4-[2-(4-benzylphenyl)ethoxy]-5-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrimidin-2-one

4-[2-(4-benzylphenyl)ethoxy]-5-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrimidin-2-one (PubChem CID 67966646) has the molecular formula C24H23FN4O2 and a molecular weight of 418.47 g/mol. Its IUPAC name is 4-[2-(4-benzylphenyl)ethoxy]-5-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrimidin-2-one.

Molecular Properties

Compound Name4-[2-(4-benzylphenyl)ethoxy]-5-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrimidin-2-one
PubChem CID67966646
Molecular FormulaC24H23FN4O2
Molecular Weight418.47 g/mol
Exact Mass418.18
IUPAC Name4-[2-(4-benzylphenyl)ethoxy]-5-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrimidin-2-one
SMILESCn1cc(Cn2cc(F)c(OCCc3ccc(Cc4ccccc4)cc3)nc2=O)cn1
InChIInChI=1S/C24H23FN4O2/c1-28-15-21(14-26-28)16-29-17-22(25)23(27-24(29)30)31-12-11-18-7-9-20(10-8-18)13-19-5-3-2-4-6-19/h2-10,14-15,17H,11-13,16H2,1H3
InChIKeyFBSRNSQSERULEU-UHFFFAOYSA-N
XLogP3.38
TPSA61.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.47
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[2-(4-benzylphenyl)ethoxy]-5-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrimidin-2-one with MolForge

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Related Compounds

(4-Phenylphenyl)methyl 4-methylpyrazole-1-carboxylate
CID 118709030
5-Fluoro-1-[(1-methylpyrazol-4-yl)methyl]-4-[2-(4-phenoxyphenyl)ethoxy]pyrimidin-2-one
CID 57383141
5-Chloro-4-[2-[4-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]phenyl]ethoxy]-1-[(1-methylpyrazol-4-yl)methyl]pyrimidin-2-one
CID 67960251
4-[2-[4-[[4-Chloro-3-(trifluoromethyl)phenyl]methyl]phenyl]ethoxy]-5-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrimidin-2-one
CID 89808749
1-Methyl-1-[(1-methylpyrazol-4-yl)methyl]-3-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]urea
CID 30307185
1-[(1-Benzylpyrazol-4-yl)methyl]-3-[[4-(ethoxymethyl)phenyl]methyl]urea
CID 86996184

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-benzylphenyl)ethoxy]-5-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrimidin-2-one?
The IUPAC name of 4-[2-(4-benzylphenyl)ethoxy]-5-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrimidin-2-one (CID 67966646) is 4-[2-(4-benzylphenyl)ethoxy]-5-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrimidin-2-one.
What is the SMILES notation for 4-[2-(4-benzylphenyl)ethoxy]-5-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrimidin-2-one?
The canonical SMILES for 4-[2-(4-benzylphenyl)ethoxy]-5-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrimidin-2-one is Cn1cc(Cn2cc(F)c(OCCc3ccc(Cc4ccccc4)cc3)nc2=O)cn1.
What is the InChIKey of 4-[2-(4-benzylphenyl)ethoxy]-5-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrimidin-2-one?
The InChIKey is FBSRNSQSERULEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O2/c1-28-15-21(14-26-28)16-29-17-22(25)23(27-24(29)30)31-12-11-18-7-9-20(10-8-18)13-19-5-3-2-4-6-19/h2-10,14-15,17H,11-13,16H2,1H3.
What are the key properties of 4-[2-(4-benzylphenyl)ethoxy]-5-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrimidin-2-one?
4-[2-(4-benzylphenyl)ethoxy]-5-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrimidin-2-one has a molecular weight of 418.47 g/mol, XLogP of 3.38, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-benzylphenyl)ethoxy]-5-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrimidin-2-one is sourced from PubChem (CID 67966646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).