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

C15H13BrN4O4 — CID 127036089

IUPAC5-[(R)-(3-bromophenyl)-(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](c1cccc(Br)c1)c1c(O)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C15H13BrN4O4/c1-6-9(14(23)20-19-6)10(7-3-2-4-8(16)5-7)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
InChIKeySLSYBVQTOYCNOH-SNVBAGLBSA-N
MW393.20 g/mol
LogP1.04
Rot. Bonds3

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

5-[(R)-(3-bromophenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-6-hydroxy-1H-pyrimidine-2,4-dione (PubChem CID 127036089) has the molecular formula C15H13BrN4O4 and a molecular weight of 393.20 g/mol. Its IUPAC name is 5-[(R)-(3-bromophenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-6-hydroxy-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[(R)-(3-bromophenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-6-hydroxy-1H-pyrimidine-2,4-dione
PubChem CID127036089
Molecular FormulaC15H13BrN4O4
Molecular Weight393.20 g/mol
Exact Mass392.01
IUPAC Name5-[(R)-(3-bromophenyl)-(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](c1cccc(Br)c1)c1c(O)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C15H13BrN4O4/c1-6-9(14(23)20-19-6)10(7-3-2-4-8(16)5-7)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
InChIKeySLSYBVQTOYCNOH-SNVBAGLBSA-N
XLogP1.04
TPSA134.60 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.20
LogP ≤ 51.04
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(R)-(3-bromophenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-6-hydroxy-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[(R)-(3-bromophenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-6-hydroxy-1H-pyrimidine-2,4-dione (CID 127036089) is 5-[(R)-(3-bromophenyl)-(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)-(3-bromophenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-6-hydroxy-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[(R)-(3-bromophenyl)-(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](c1cccc(Br)c1)c1c(O)[nH]c(=O)[nH]c1=O.
What is the InChIKey of 5-[(R)-(3-bromophenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-6-hydroxy-1H-pyrimidine-2,4-dione?
The InChIKey is SLSYBVQTOYCNOH-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H13BrN4O4/c1-6-9(14(23)20-19-6)10(7-3-2-4-8(16)5-7)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)-(3-bromophenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-6-hydroxy-1H-pyrimidine-2,4-dione?
5-[(R)-(3-bromophenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-6-hydroxy-1H-pyrimidine-2,4-dione has a molecular weight of 393.20 g/mol, XLogP of 1.04, 3 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(R)-(3-bromophenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-6-hydroxy-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 127036089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).