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

C17H17ClN4O2 — CID 102384040

IUPAC5-acetyl-4-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one
SMILESCC(=O)C1=C(C)NC(=O)NC1c1c(C)nn(-c2ccccc2)c1Cl
InChIInChI=1S/C17H17ClN4O2/c1-9-13(11(3)23)15(20-17(24)19-9)14-10(2)21-22(16(14)18)12-7-5-4-6-8-12/h4-8,15H,1-3H3,(H2,19,20,24)
InChIKeyUIEJFTMNKYAIKJ-UHFFFAOYSA-N
MW344.80 g/mol
LogP3.05
Rot. Bonds3

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

5-acetyl-4-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one (PubChem CID 102384040) has the molecular formula C17H17ClN4O2 and a molecular weight of 344.80 g/mol. Its IUPAC name is 5-acetyl-4-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one.

Molecular Properties

Compound Name5-acetyl-4-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one
PubChem CID102384040
Molecular FormulaC17H17ClN4O2
Molecular Weight344.80 g/mol
Exact Mass344.10
IUPAC Name5-acetyl-4-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one
SMILESCC(=O)C1=C(C)NC(=O)NC1c1c(C)nn(-c2ccccc2)c1Cl
InChIInChI=1S/C17H17ClN4O2/c1-9-13(11(3)23)15(20-17(24)19-9)14-10(2)21-22(16(14)18)12-7-5-4-6-8-12/h4-8,15H,1-3H3,(H2,19,20,24)
InChIKeyUIEJFTMNKYAIKJ-UHFFFAOYSA-N
XLogP3.05
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.80
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (4R)-4-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 7112613
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
5-benzoyl-6-methyl-4-(3-methyl-5-phenoxy-1-phenylpyrazol-4-yl)-3,4-dihydro-1H-pyrimidin-2-one
CID 102384051
methyl (4R)-4-(6-chloro-3-methyl-1-phenylpyrazolo[3,4-b]pyridin-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 7745749
(4S)-5-acetyl-4-(2-fluorophenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one
CID 781415
(4R)-5-acetyl-4-(2-fluorophenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one
CID 781417
methyl 6-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-9-methyl-7-oxo-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepine-8-carboxylate
CID 4312158
(2S)-2-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-3-phenyl-1,2-dihydroquinazolin-4-one
CID 1277249
(4R)-4-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-2-methyl-N-(5-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 51552419
(4R)-5-benzoyl-4-(4-chlorophenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one
CID 745700
(4S)-5-benzoyl-4-(2-chlorophenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one
CID 7798146
N-[1-(5-chloro-3-methyl-1-phenylpyrazole-4-carbonyl)piperidin-4-yl]-N-methylacetamide
CID 60591215

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-4-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one?
The IUPAC name of 5-acetyl-4-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one (CID 102384040) is 5-acetyl-4-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one.
What is the SMILES notation for 5-acetyl-4-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one?
The canonical SMILES for 5-acetyl-4-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one is CC(=O)C1=C(C)NC(=O)NC1c1c(C)nn(-c2ccccc2)c1Cl.
What is the InChIKey of 5-acetyl-4-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one?
The InChIKey is UIEJFTMNKYAIKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O2/c1-9-13(11(3)23)15(20-17(24)19-9)14-10(2)21-22(16(14)18)12-7-5-4-6-8-12/h4-8,15H,1-3H3,(H2,19,20,24).
What are the key properties of 5-acetyl-4-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one?
5-acetyl-4-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one has a molecular weight of 344.80 g/mol, XLogP of 3.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-4-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one is sourced from PubChem (CID 102384040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).