5-[(R)-(2-chlorophenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-6-hydroxy-1H-pyrimidine-2,4-dione

C15H13ClN4O4 — CID 127035116

IUPAC5-[(R)-(2-chlorophenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-6-hydroxy-1H-pyrimidine-2,4-dione
SMILESCc1[nH][nH]c(=O)c1[C@@H](c1ccccc1Cl)c1c(O)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C15H13ClN4O4/c1-6-9(14(23)20-19-6)10(7-4-2-3-5-8(7)16)11-12(21)17-15(24)18-13(11)22/h2-5,10H,1H3,(H2,19,20,23)(H3,17,18,21,22,24)/t10-/m1/s1
InChIKeyPOAFRBGFRPCEEJ-SNVBAGLBSA-N
MW348.75 g/mol
LogP0.93
Rot. Bonds3

About 5-[(R)-(2-chlorophenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-6-hydroxy-1H-pyrimidine-2,4-dione

5-[(R)-(2-chlorophenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-6-hydroxy-1H-pyrimidine-2,4-dione (PubChem CID 127035116) has the molecular formula C15H13ClN4O4 and a molecular weight of 348.75 g/mol. Its IUPAC name is 5-[(R)-(2-chlorophenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-6-hydroxy-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[(R)-(2-chlorophenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-6-hydroxy-1H-pyrimidine-2,4-dione
PubChem CID127035116
Molecular FormulaC15H13ClN4O4
Molecular Weight348.75 g/mol
Exact Mass348.06
IUPAC Name5-[(R)-(2-chlorophenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-6-hydroxy-1H-pyrimidine-2,4-dione
SMILESCc1[nH][nH]c(=O)c1[C@@H](c1ccccc1Cl)c1c(O)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C15H13ClN4O4/c1-6-9(14(23)20-19-6)10(7-4-2-3-5-8(7)16)11-12(21)17-15(24)18-13(11)22/h2-5,10H,1H3,(H2,19,20,23)(H3,17,18,21,22,24)/t10-/m1/s1
InChIKeyPOAFRBGFRPCEEJ-SNVBAGLBSA-N
XLogP0.93
TPSA134.60 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.75
LogP ≤ 50.93
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(R)-(2-chlorophenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-6-hydroxy-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[(R)-(2-chlorophenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-6-hydroxy-1H-pyrimidine-2,4-dione (CID 127035116) is 5-[(R)-(2-chlorophenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-6-hydroxy-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[(R)-(2-chlorophenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-6-hydroxy-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[(R)-(2-chlorophenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-6-hydroxy-1H-pyrimidine-2,4-dione is Cc1[nH][nH]c(=O)c1[C@@H](c1ccccc1Cl)c1c(O)[nH]c(=O)[nH]c1=O.
What is the InChIKey of 5-[(R)-(2-chlorophenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-6-hydroxy-1H-pyrimidine-2,4-dione?
The InChIKey is POAFRBGFRPCEEJ-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H13ClN4O4/c1-6-9(14(23)20-19-6)10(7-4-2-3-5-8(7)16)11-12(21)17-15(24)18-13(11)22/h2-5,10H,1H3,(H2,19,20,23)(H3,17,18,21,22,24)/t10-/m1/s1.
What are the key properties of 5-[(R)-(2-chlorophenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-6-hydroxy-1H-pyrimidine-2,4-dione?
5-[(R)-(2-chlorophenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-6-hydroxy-1H-pyrimidine-2,4-dione has a molecular weight of 348.75 g/mol, XLogP of 0.93, 3 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(R)-(2-chlorophenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-6-hydroxy-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 127035116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).