1-(4-chlorophenyl)-6-hydroxy-5-[(5R)-5-phenyl-4,5-dihydro-1H-pyrazol-3-yl]pyrimidine-2,4-dione

C19H15ClN4O3 — CID 135855562

About 1-(4-chlorophenyl)-6-hydroxy-5-[(5R)-5-phenyl-4,5-dihydro-1H-pyrazol-3-yl]pyrimidine-2,4-dione

1-(4-chlorophenyl)-6-hydroxy-5-[(5R)-5-phenyl-4,5-dihydro-1H-pyrazol-3-yl]pyrimidine-2,4-dione (PubChem CID 135855562) has the molecular formula C19H15ClN4O3 and a molecular weight of 382.81 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-6-hydroxy-5-[(5R)-5-phenyl-4,5-dihydro-1H-pyrazol-3-yl]pyrimidine-2,4-dione.

Molecular Properties

• Compound Name: 1-(4-chlorophenyl)-6-hydroxy-5-[(5R)-5-phenyl-4,5-dihydro-1H-pyrazol-3-yl]pyrimidine-2,4-dione
• PubChem CID: 135855562
• Molecular Formula: C19H15ClN4O3
• Molecular Weight: 382.81 g/mol
• Exact Mass: 382.08
• IUPAC Name: 1-(4-chlorophenyl)-6-hydroxy-5-[(5R)-5-phenyl-4,5-dihydro-1H-pyrazol-3-yl]pyrimidine-2,4-dione
• SMILES: O=c1[nH]c(=O)n(-c2ccc(Cl)cc2)c(O)c1C1=NN[C@@H](c2ccccc2)C1
• InChI: InChI=1S/C19H15ClN4O3/c20-12-6-8-13(9-7-12)24-18(26)16(17(25)21-19(24)27)15-10-14(22-23-15)11-4-2-1-3-5-11/h1-9,14,22,26H,10H2,(H,21,25,27)/t14-/m1/s1
• InChIKey: YPFDULGOOYODNK-CQSZACIVSA-N
• XLogP: 2.32
• TPSA: 99.48 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	382.81
LogP ≤ 5	2.32
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-6-hydroxy-5-[(5R)-5-phenyl-4,5-dihydro-1H-pyrazol-3-yl]pyrimidine-2,4-dione?

The IUPAC name of 1-(4-chlorophenyl)-6-hydroxy-5-[(5R)-5-phenyl-4,5-dihydro-1H-pyrazol-3-yl]pyrimidine-2,4-dione (CID 135855562) is 1-(4-chlorophenyl)-6-hydroxy-5-[(5R)-5-phenyl-4,5-dihydro-1H-pyrazol-3-yl]pyrimidine-2,4-dione.

What is the SMILES notation for 1-(4-chlorophenyl)-6-hydroxy-5-[(5R)-5-phenyl-4,5-dihydro-1H-pyrazol-3-yl]pyrimidine-2,4-dione?

The canonical SMILES for 1-(4-chlorophenyl)-6-hydroxy-5-[(5R)-5-phenyl-4,5-dihydro-1H-pyrazol-3-yl]pyrimidine-2,4-dione is O=c1[nH]c(=O)n(-c2ccc(Cl)cc2)c(O)c1C1=NN[C@@H](c2ccccc2)C1.

What is the InChIKey of 1-(4-chlorophenyl)-6-hydroxy-5-[(5R)-5-phenyl-4,5-dihydro-1H-pyrazol-3-yl]pyrimidine-2,4-dione?

The InChIKey is YPFDULGOOYODNK-CQSZACIVSA-N. The full InChI is InChI=1S/C19H15ClN4O3/c20-12-6-8-13(9-7-12)24-18(26)16(17(25)21-19(24)27)15-10-14(22-23-15)11-4-2-1-3-5-11/h1-9,14,22,26H,10H2,(H,21,25,27)/t14-/m1/s1.

What are the key properties of 1-(4-chlorophenyl)-6-hydroxy-5-[(5R)-5-phenyl-4,5-dihydro-1H-pyrazol-3-yl]pyrimidine-2,4-dione?

1-(4-chlorophenyl)-6-hydroxy-5-[(5R)-5-phenyl-4,5-dihydro-1H-pyrazol-3-yl]pyrimidine-2,4-dione has a molecular weight of 382.81 g/mol, XLogP of 2.32, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-chlorophenyl)-6-hydroxy-5-[(5R)-5-phenyl-4,5-dihydro-1H-pyrazol-3-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 135855562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).