5-benzoyl-6-methyl-4-(3-methyl-5-phenoxy-1-phenylpyrazol-4-yl)-3,4-dihydro-1H-pyrimidin-2-one

C28H24N4O3 — CID 102384051

IUPAC5-benzoyl-6-methyl-4-(3-methyl-5-phenoxy-1-phenylpyrazol-4-yl)-3,4-dihydro-1H-pyrimidin-2-one
SMILESCC1=C(C(=O)c2ccccc2)C(c2c(C)nn(-c3ccccc3)c2Oc2ccccc2)NC(=O)N1
InChIInChI=1S/C28H24N4O3/c1-18-23(26(33)20-12-6-3-7-13-20)25(30-28(34)29-18)24-19(2)31-32(21-14-8-4-9-15-21)27(24)35-22-16-10-5-11-17-22/h3-17,25H,1-2H3,(H2,29,30,34)
InChIKeyWBOPELWYXLSAMR-UHFFFAOYSA-N
MW464.53 g/mol
LogP5.48
Rot. Bonds6

About 5-benzoyl-6-methyl-4-(3-methyl-5-phenoxy-1-phenylpyrazol-4-yl)-3,4-dihydro-1H-pyrimidin-2-one

5-benzoyl-6-methyl-4-(3-methyl-5-phenoxy-1-phenylpyrazol-4-yl)-3,4-dihydro-1H-pyrimidin-2-one (PubChem CID 102384051) has the molecular formula C28H24N4O3 and a molecular weight of 464.53 g/mol. Its IUPAC name is 5-benzoyl-6-methyl-4-(3-methyl-5-phenoxy-1-phenylpyrazol-4-yl)-3,4-dihydro-1H-pyrimidin-2-one.

Molecular Properties

Compound Name5-benzoyl-6-methyl-4-(3-methyl-5-phenoxy-1-phenylpyrazol-4-yl)-3,4-dihydro-1H-pyrimidin-2-one
PubChem CID102384051
Molecular FormulaC28H24N4O3
Molecular Weight464.53 g/mol
Exact Mass464.18
IUPAC Name5-benzoyl-6-methyl-4-(3-methyl-5-phenoxy-1-phenylpyrazol-4-yl)-3,4-dihydro-1H-pyrimidin-2-one
SMILESCC1=C(C(=O)c2ccccc2)C(c2c(C)nn(-c3ccccc3)c2Oc2ccccc2)NC(=O)N1
InChIInChI=1S/C28H24N4O3/c1-18-23(26(33)20-12-6-3-7-13-20)25(30-28(34)29-18)24-19(2)31-32(21-14-8-4-9-15-21)27(24)35-22-16-10-5-11-17-22/h3-17,25H,1-2H3,(H2,29,30,34)
InChIKeyWBOPELWYXLSAMR-UHFFFAOYSA-N
XLogP5.48
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.53
LogP ≤ 55.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-acetyl-4-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one
CID 102384040
ethyl (4R)-4-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 7112613
(4S)-5-benzoyl-4-(2-chlorophenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one
CID 7798146
(4R)-5-benzoyl-4-(2,5-dimethoxyphenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one
CID 7800722
(4R)-5-benzoyl-4-(4-chlorophenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one
CID 745700
4-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-N-(4-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 5218350
N-[[5-(4-chlorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]-N-(cyclopropylmethyl)benzamide
CID 51069552
(4R)-5-benzoyl-6-methyl-4-(3-methylphenyl)-3,4-dihydro-1H-pyrimidin-2-one
CID 7817242
5-benzoyl-6-methyl-4-(3-phenylmethoxyphenyl)-3,4-dihydro-1H-pyrimidin-2-one
CID 4565972
(4R)-5-benzoyl-6-methyl-4-(3-phenylmethoxyphenyl)-3,4-dihydro-1H-pyrimidin-2-one
CID 7811036
N-[[5-(4-chlorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]-N-propylcyclopropanecarboxamide
CID 51069535
N-(cyclopropylmethyl)-2-fluoro-N-[(3-methyl-5-phenoxy-1-phenylpyrazol-4-yl)methyl]benzamide
CID 51068520

Frequently Asked Questions

What is the IUPAC name of 5-benzoyl-6-methyl-4-(3-methyl-5-phenoxy-1-phenylpyrazol-4-yl)-3,4-dihydro-1H-pyrimidin-2-one?
The IUPAC name of 5-benzoyl-6-methyl-4-(3-methyl-5-phenoxy-1-phenylpyrazol-4-yl)-3,4-dihydro-1H-pyrimidin-2-one (CID 102384051) is 5-benzoyl-6-methyl-4-(3-methyl-5-phenoxy-1-phenylpyrazol-4-yl)-3,4-dihydro-1H-pyrimidin-2-one.
What is the SMILES notation for 5-benzoyl-6-methyl-4-(3-methyl-5-phenoxy-1-phenylpyrazol-4-yl)-3,4-dihydro-1H-pyrimidin-2-one?
The canonical SMILES for 5-benzoyl-6-methyl-4-(3-methyl-5-phenoxy-1-phenylpyrazol-4-yl)-3,4-dihydro-1H-pyrimidin-2-one is CC1=C(C(=O)c2ccccc2)C(c2c(C)nn(-c3ccccc3)c2Oc2ccccc2)NC(=O)N1.
What is the InChIKey of 5-benzoyl-6-methyl-4-(3-methyl-5-phenoxy-1-phenylpyrazol-4-yl)-3,4-dihydro-1H-pyrimidin-2-one?
The InChIKey is WBOPELWYXLSAMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N4O3/c1-18-23(26(33)20-12-6-3-7-13-20)25(30-28(34)29-18)24-19(2)31-32(21-14-8-4-9-15-21)27(24)35-22-16-10-5-11-17-22/h3-17,25H,1-2H3,(H2,29,30,34).
What are the key properties of 5-benzoyl-6-methyl-4-(3-methyl-5-phenoxy-1-phenylpyrazol-4-yl)-3,4-dihydro-1H-pyrimidin-2-one?
5-benzoyl-6-methyl-4-(3-methyl-5-phenoxy-1-phenylpyrazol-4-yl)-3,4-dihydro-1H-pyrimidin-2-one has a molecular weight of 464.53 g/mol, XLogP of 5.48, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzoyl-6-methyl-4-(3-methyl-5-phenoxy-1-phenylpyrazol-4-yl)-3,4-dihydro-1H-pyrimidin-2-one is sourced from PubChem (CID 102384051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).