4-(4-methoxyphenyl)-6-[1-phenyl-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]-1H-pyrimidin-2-one

C33H26N4O3 — CID 155811971

IUPAC4-(4-methoxyphenyl)-6-[1-phenyl-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]-1H-pyrimidin-2-one
SMILESCOc1ccc(-c2cc(-c3cn(-c4ccccc4)nc3-c3ccc(OCc4ccccc4)cc3)[nH]c(=O)n2)cc1
InChIInChI=1S/C33H26N4O3/c1-39-27-16-12-24(13-17-27)30-20-31(35-33(38)34-30)29-21-37(26-10-6-3-7-11-26)36-32(29)25-14-18-28(19-15-25)40-22-23-8-4-2-5-9-23/h2-21H,22H2,1H3,(H,34,35,38)
InChIKeyKQCAYRRIXFOHBH-UHFFFAOYSA-N
MW526.60 g/mol
LogP6.54
Rot. Bonds8

About 4-(4-methoxyphenyl)-6-[1-phenyl-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]-1H-pyrimidin-2-one

4-(4-methoxyphenyl)-6-[1-phenyl-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]-1H-pyrimidin-2-one (PubChem CID 155811971) has the molecular formula C33H26N4O3 and a molecular weight of 526.60 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-6-[1-phenyl-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]-1H-pyrimidin-2-one.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-6-[1-phenyl-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]-1H-pyrimidin-2-one
PubChem CID155811971
Molecular FormulaC33H26N4O3
Molecular Weight526.60 g/mol
Exact Mass526.20
IUPAC Name4-(4-methoxyphenyl)-6-[1-phenyl-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]-1H-pyrimidin-2-one
SMILESCOc1ccc(-c2cc(-c3cn(-c4ccccc4)nc3-c3ccc(OCc4ccccc4)cc3)[nH]c(=O)n2)cc1
InChIInChI=1S/C33H26N4O3/c1-39-27-16-12-24(13-17-27)30-20-31(35-33(38)34-30)29-21-37(26-10-6-3-7-11-26)36-32(29)25-14-18-28(19-15-25)40-22-23-8-4-2-5-9-23/h2-21H,22H2,1H3,(H,34,35,38)
InChIKeyKQCAYRRIXFOHBH-UHFFFAOYSA-N
XLogP6.54
TPSA82.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.60
LogP ≤ 56.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-chloro-1-(4-methoxyphenyl)-4-(4-phenylmethoxyphenyl)pyrazole
CID 141089729
4-(4-bromophenyl)-6-[1-(3-chlorophenyl)-3-(4-methoxyphenyl)pyrazol-4-yl]-1H-pyrimidine-2-thione
CID 155813387
2,6-bis(4-methoxyphenyl)-4-(4-phenylmethoxyphenyl)pyridine
CID 132564654
(5E)-1-[(4-methoxyphenyl)methyl]-4-methyl-2,6-dioxo-5-[[1-phenyl-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]methylidene]pyridine-3-carbonitrile
CID 19112904
6-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-4-(4-methylphenyl)-1H-pyrimidine-2-thione
CID 57394189
3,6-bis(4-methoxyphenyl)-2-(4-phenylmethoxyphenyl)pyridine
CID 18923794
4-ethyl-3-(4-methoxyphenyl)-1-phenylpyrazole
CID 67740433
4-(3-methoxyphenyl)-1,3-diphenylpyrazole
CID 166447646
N-[(E)-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-4-[(4-methylphenyl)methoxy]benzamide
CID 51061653
3-pentyl-5-[[1-phenyl-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 5068804
(4-phenylmethoxyphenyl) 1,3-diphenylpyrazole-4-carboxylate
CID 3630951
8-methoxy-3-[4-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-6-phenyl-2-pyridinyl]chromen-2-one
CID 46873264

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-6-[1-phenyl-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]-1H-pyrimidin-2-one?
The IUPAC name of 4-(4-methoxyphenyl)-6-[1-phenyl-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]-1H-pyrimidin-2-one (CID 155811971) is 4-(4-methoxyphenyl)-6-[1-phenyl-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]-1H-pyrimidin-2-one.
What is the SMILES notation for 4-(4-methoxyphenyl)-6-[1-phenyl-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]-1H-pyrimidin-2-one?
The canonical SMILES for 4-(4-methoxyphenyl)-6-[1-phenyl-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]-1H-pyrimidin-2-one is COc1ccc(-c2cc(-c3cn(-c4ccccc4)nc3-c3ccc(OCc4ccccc4)cc3)[nH]c(=O)n2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-6-[1-phenyl-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]-1H-pyrimidin-2-one?
The InChIKey is KQCAYRRIXFOHBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H26N4O3/c1-39-27-16-12-24(13-17-27)30-20-31(35-33(38)34-30)29-21-37(26-10-6-3-7-11-26)36-32(29)25-14-18-28(19-15-25)40-22-23-8-4-2-5-9-23/h2-21H,22H2,1H3,(H,34,35,38).
What are the key properties of 4-(4-methoxyphenyl)-6-[1-phenyl-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]-1H-pyrimidin-2-one?
4-(4-methoxyphenyl)-6-[1-phenyl-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]-1H-pyrimidin-2-one has a molecular weight of 526.60 g/mol, XLogP of 6.54, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-6-[1-phenyl-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]-1H-pyrimidin-2-one is sourced from PubChem (CID 155811971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).