1-benzyl-5-[5-[4-(diethylamino)phenyl]-4,5-dihydro-1H-pyrazol-3-yl]-6-hydroxypyrimidine-2,4-dione

C24H27N5O3 — CID 135969991

IUPAC1-benzyl-5-[5-[4-(diethylamino)phenyl]-4,5-dihydro-1H-pyrazol-3-yl]-6-hydroxypyrimidine-2,4-dione
SMILESCCN(CC)c1ccc(C2CC(c3c(O)n(Cc4ccccc4)c(=O)[nH]c3=O)=NN2)cc1
InChIInChI=1S/C24H27N5O3/c1-3-28(4-2)18-12-10-17(11-13-18)19-14-20(27-26-19)21-22(30)25-24(32)29(23(21)31)15-16-8-6-5-7-9-16/h5-13,19,26,31H,3-4,14-15H2,1-2H3,(H,25,30,32)
InChIKeyUFOMPXOVZWKABI-UHFFFAOYSA-N
MW433.51 g/mol
LogP2.58
Rot. Bonds7

About 1-benzyl-5-[5-[4-(diethylamino)phenyl]-4,5-dihydro-1H-pyrazol-3-yl]-6-hydroxypyrimidine-2,4-dione

1-benzyl-5-[5-[4-(diethylamino)phenyl]-4,5-dihydro-1H-pyrazol-3-yl]-6-hydroxypyrimidine-2,4-dione (PubChem CID 135969991) has the molecular formula C24H27N5O3 and a molecular weight of 433.51 g/mol. Its IUPAC name is 1-benzyl-5-[5-[4-(diethylamino)phenyl]-4,5-dihydro-1H-pyrazol-3-yl]-6-hydroxypyrimidine-2,4-dione.

Molecular Properties

Compound Name1-benzyl-5-[5-[4-(diethylamino)phenyl]-4,5-dihydro-1H-pyrazol-3-yl]-6-hydroxypyrimidine-2,4-dione
PubChem CID135969991
Molecular FormulaC24H27N5O3
Molecular Weight433.51 g/mol
Exact Mass433.21
IUPAC Name1-benzyl-5-[5-[4-(diethylamino)phenyl]-4,5-dihydro-1H-pyrazol-3-yl]-6-hydroxypyrimidine-2,4-dione
SMILESCCN(CC)c1ccc(C2CC(c3c(O)n(Cc4ccccc4)c(=O)[nH]c3=O)=NN2)cc1
InChIInChI=1S/C24H27N5O3/c1-3-28(4-2)18-12-10-17(11-13-18)19-14-20(27-26-19)21-22(30)25-24(32)29(23(21)31)15-16-8-6-5-7-9-16/h5-13,19,26,31H,3-4,14-15H2,1-2H3,(H,25,30,32)
InChIKeyUFOMPXOVZWKABI-UHFFFAOYSA-N
XLogP2.58
TPSA102.72 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-benzyl-6-hydroxy-5-[(5S)-5-(4-propan-2-ylphenyl)-4,5-dihydro-1H-pyrazol-3-yl]pyrimidine-2,4-dione
CID 136804526
1-benzyl-6-hydroxy-5-[5-(4-nitrophenyl)-4,5-dihydro-1H-pyrazol-3-yl]pyrimidine-2,4-dione
CID 135969999
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
1-benzyl-5-[3-[4-(diethylamino)phenyl]-2-propanoyl-3,4-dihydropyrazol-5-yl]-6-hydroxypyrimidine-2,4-dione
CID 135970272
1-butyl-6-hydroxy-5-(5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)pyrimidine-2,4-dione
CID 135969950
1-benzyl-5-[3-[4-(dimethylamino)phenyl]-2-propanoyl-3,4-dihydropyrazol-5-yl]-6-hydroxypyrimidine-2,4-dione
CID 135970271
1-(4-chlorophenyl)-6-hydroxy-5-(5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)pyrimidine-2,4-dione
CID 4870777
1-(4-chlorophenyl)-6-hydroxy-5-[(5R)-5-phenyl-4,5-dihydro-1H-pyrazol-3-yl]pyrimidine-2,4-dione
CID 135855562
6-hydroxy-5-[(5S)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-1-prop-2-enylpyrimidine-2,4-dione
CID 136804422
1-butyl-6-hydroxy-5-[5-(4-nitrophenyl)-4,5-dihydro-1H-pyrazol-3-yl]pyrimidine-2,4-dione
CID 135969964
5-[5-(2-ethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-6-hydroxy-1-(2-phenylethyl)pyrimidine-2,4-dione
CID 135970006

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-[5-[4-(diethylamino)phenyl]-4,5-dihydro-1H-pyrazol-3-yl]-6-hydroxypyrimidine-2,4-dione?
The IUPAC name of 1-benzyl-5-[5-[4-(diethylamino)phenyl]-4,5-dihydro-1H-pyrazol-3-yl]-6-hydroxypyrimidine-2,4-dione (CID 135969991) is 1-benzyl-5-[5-[4-(diethylamino)phenyl]-4,5-dihydro-1H-pyrazol-3-yl]-6-hydroxypyrimidine-2,4-dione.
What is the SMILES notation for 1-benzyl-5-[5-[4-(diethylamino)phenyl]-4,5-dihydro-1H-pyrazol-3-yl]-6-hydroxypyrimidine-2,4-dione?
The canonical SMILES for 1-benzyl-5-[5-[4-(diethylamino)phenyl]-4,5-dihydro-1H-pyrazol-3-yl]-6-hydroxypyrimidine-2,4-dione is CCN(CC)c1ccc(C2CC(c3c(O)n(Cc4ccccc4)c(=O)[nH]c3=O)=NN2)cc1.
What is the InChIKey of 1-benzyl-5-[5-[4-(diethylamino)phenyl]-4,5-dihydro-1H-pyrazol-3-yl]-6-hydroxypyrimidine-2,4-dione?
The InChIKey is UFOMPXOVZWKABI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O3/c1-3-28(4-2)18-12-10-17(11-13-18)19-14-20(27-26-19)21-22(30)25-24(32)29(23(21)31)15-16-8-6-5-7-9-16/h5-13,19,26,31H,3-4,14-15H2,1-2H3,(H,25,30,32).
What are the key properties of 1-benzyl-5-[5-[4-(diethylamino)phenyl]-4,5-dihydro-1H-pyrazol-3-yl]-6-hydroxypyrimidine-2,4-dione?
1-benzyl-5-[5-[4-(diethylamino)phenyl]-4,5-dihydro-1H-pyrazol-3-yl]-6-hydroxypyrimidine-2,4-dione has a molecular weight of 433.51 g/mol, XLogP of 2.58, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-[5-[4-(diethylamino)phenyl]-4,5-dihydro-1H-pyrazol-3-yl]-6-hydroxypyrimidine-2,4-dione is sourced from PubChem (CID 135969991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).