5-[(5S)-5-(2,5-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-6-hydroxy-1-(2-phenylethyl)pyrimidine-2,4-dione

C23H24N4O5 — CID 136804550

IUPAC5-[(5S)-5-(2,5-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-6-hydroxy-1-(2-phenylethyl)pyrimidine-2,4-dione
SMILESCOc1ccc(OC)c([C@@H]2CC(c3c(O)n(CCc4ccccc4)c(=O)[nH]c3=O)=NN2)c1
InChIInChI=1S/C23H24N4O5/c1-31-15-8-9-19(32-2)16(12-15)17-13-18(26-25-17)20-21(28)24-23(30)27(22(20)29)11-10-14-6-4-3-5-7-14/h3-9,12,17,25,29H,10-11,13H2,1-2H3,(H,24,28,30)/t17-/m0/s1
InChIKeyNRPIGDQOTRPKAI-KRWDZBQOSA-N
MW436.47 g/mol
LogP1.94
Rot. Bonds7

About 5-[(5S)-5-(2,5-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-6-hydroxy-1-(2-phenylethyl)pyrimidine-2,4-dione

5-[(5S)-5-(2,5-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-6-hydroxy-1-(2-phenylethyl)pyrimidine-2,4-dione (PubChem CID 136804550) has the molecular formula C23H24N4O5 and a molecular weight of 436.47 g/mol. Its IUPAC name is 5-[(5S)-5-(2,5-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-6-hydroxy-1-(2-phenylethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[(5S)-5-(2,5-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-6-hydroxy-1-(2-phenylethyl)pyrimidine-2,4-dione
PubChem CID136804550
Molecular FormulaC23H24N4O5
Molecular Weight436.47 g/mol
Exact Mass436.17
IUPAC Name5-[(5S)-5-(2,5-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-6-hydroxy-1-(2-phenylethyl)pyrimidine-2,4-dione
SMILESCOc1ccc(OC)c([C@@H]2CC(c3c(O)n(CCc4ccccc4)c(=O)[nH]c3=O)=NN2)c1
InChIInChI=1S/C23H24N4O5/c1-31-15-8-9-19(32-2)16(12-15)17-13-18(26-25-17)20-21(28)24-23(30)27(22(20)29)11-10-14-6-4-3-5-7-14/h3-9,12,17,25,29H,10-11,13H2,1-2H3,(H,24,28,30)/t17-/m0/s1
InChIKeyNRPIGDQOTRPKAI-KRWDZBQOSA-N
XLogP1.94
TPSA117.94 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.47
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 5-[(5S)-5-(2,5-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-6-hydroxy-1-(2-phenylethyl)pyrimidine-2,4-dione with MolForge

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Related Compounds

5-[5-(2-ethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-6-hydroxy-1-(2-phenylethyl)pyrimidine-2,4-dione
CID 135970006
1-benzyl-6-hydroxy-5-[5-(3-hydroxy-4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]pyrimidine-2,4-dione
CID 135651746
1-benzyl-6-hydroxy-5-[(5S)-5-(3-hydroxy-4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]pyrimidine-2,4-dione
CID 135766825
6-hydroxy-5-[(5S)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-1-(3-methoxypropyl)pyrimidine-2,4-dione
CID 135577620
1-butyl-5-[5-(2,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-6-hydroxy-2-sulfanylidenepyrimidin-4-one
CID 135896645
6-hydroxy-1-prop-2-enyl-5-[(5S)-5-(2,3,4-trimethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]pyrimidine-2,4-dione
CID 136804430
5-[(5S)-5-(1-benzylindol-3-yl)-4,5-dihydro-1H-pyrazol-3-yl]-6-hydroxy-1-(3-methoxypropyl)pyrimidine-2,4-dione
CID 136767571
1-butyl-6-hydroxy-5-(5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)pyrimidine-2,4-dione
CID 135969950
1-butyl-6-hydroxy-5-[(5S)-5-(2-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-2-sulfanylidenepyrimidin-4-one
CID 136887998
1-cyclohexyl-5-[5-(2,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-6-hydroxypyrimidine-2,4-dione
CID 135969974
1-cyclohexyl-5-[(5R)-5-(2,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-6-hydroxypyrimidine-2,4-dione
CID 136804491
6-hydroxy-5-[(5S)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-1-prop-2-enylpyrimidine-2,4-dione
CID 136804422

Frequently Asked Questions

What is the IUPAC name of 5-[(5S)-5-(2,5-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-6-hydroxy-1-(2-phenylethyl)pyrimidine-2,4-dione?
The IUPAC name of 5-[(5S)-5-(2,5-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-6-hydroxy-1-(2-phenylethyl)pyrimidine-2,4-dione (CID 136804550) is 5-[(5S)-5-(2,5-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-6-hydroxy-1-(2-phenylethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-[(5S)-5-(2,5-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-6-hydroxy-1-(2-phenylethyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-[(5S)-5-(2,5-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-6-hydroxy-1-(2-phenylethyl)pyrimidine-2,4-dione is COc1ccc(OC)c([C@@H]2CC(c3c(O)n(CCc4ccccc4)c(=O)[nH]c3=O)=NN2)c1.
What is the InChIKey of 5-[(5S)-5-(2,5-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-6-hydroxy-1-(2-phenylethyl)pyrimidine-2,4-dione?
The InChIKey is NRPIGDQOTRPKAI-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H24N4O5/c1-31-15-8-9-19(32-2)16(12-15)17-13-18(26-25-17)20-21(28)24-23(30)27(22(20)29)11-10-14-6-4-3-5-7-14/h3-9,12,17,25,29H,10-11,13H2,1-2H3,(H,24,28,30)/t17-/m0/s1.
What are the key properties of 5-[(5S)-5-(2,5-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-6-hydroxy-1-(2-phenylethyl)pyrimidine-2,4-dione?
5-[(5S)-5-(2,5-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-6-hydroxy-1-(2-phenylethyl)pyrimidine-2,4-dione has a molecular weight of 436.47 g/mol, XLogP of 1.94, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5S)-5-(2,5-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-6-hydroxy-1-(2-phenylethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 136804550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).