2-[4-[[4-(dimethylamino)phenyl]diazenyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]-4,5-dimethyl-1H-pyrimidin-6-one

C18H21N7O2 — CID 136864762

IUPAC2-[4-[[4-(dimethylamino)phenyl]diazenyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]-4,5-dimethyl-1H-pyrimidin-6-one
SMILESCc1nc(-n2[nH]c(C)c(/N=N/c3ccc(N(C)C)cc3)c2=O)[nH]c(=O)c1C
InChIInChI=1S/C18H21N7O2/c1-10-11(2)19-18(20-16(10)26)25-17(27)15(12(3)23-25)22-21-13-6-8-14(9-7-13)24(4)5/h6-9,23H,1-5H3,(H,19,20,26)/b22-21+
InChIKeyWLUWIRLJMJDYBU-QURGRASLSA-N
MW367.41 g/mol
LogP2.66
Rot. Bonds4

About 2-[4-[[4-(dimethylamino)phenyl]diazenyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]-4,5-dimethyl-1H-pyrimidin-6-one

2-[4-[[4-(dimethylamino)phenyl]diazenyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]-4,5-dimethyl-1H-pyrimidin-6-one (PubChem CID 136864762) has the molecular formula C18H21N7O2 and a molecular weight of 367.41 g/mol. Its IUPAC name is 2-[4-[[4-(dimethylamino)phenyl]diazenyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]-4,5-dimethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[4-[[4-(dimethylamino)phenyl]diazenyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]-4,5-dimethyl-1H-pyrimidin-6-one
PubChem CID136864762
Molecular FormulaC18H21N7O2
Molecular Weight367.41 g/mol
Exact Mass367.18
IUPAC Name2-[4-[[4-(dimethylamino)phenyl]diazenyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]-4,5-dimethyl-1H-pyrimidin-6-one
SMILESCc1nc(-n2[nH]c(C)c(/N=N/c3ccc(N(C)C)cc3)c2=O)[nH]c(=O)c1C
InChIInChI=1S/C18H21N7O2/c1-10-11(2)19-18(20-16(10)26)25-17(27)15(12(3)23-25)22-21-13-6-8-14(9-7-13)24(4)5/h6-9,23H,1-5H3,(H,19,20,26)/b22-21+
InChIKeyWLUWIRLJMJDYBU-QURGRASLSA-N
XLogP2.66
TPSA111.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

2-[4-[(4-bromophenyl)diazenyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]-4,5-dimethyl-1H-pyrimidin-6-one
CID 136864742
5-butyl-4-methyl-2-[5-methyl-4-[(4-methylphenyl)diazenyl]-3-oxo-1H-pyrazol-2-yl]-1H-pyrimidin-6-one
CID 136864735
5-butyl-4-methyl-2-(5-methyl-3-oxo-4-phenyldiazenyl-1H-pyrazol-2-yl)-1H-pyrimidin-6-one
CID 136864725
4-[[5-methyl-2-(4-methyl-6-oxo-5-propyl-1H-pyrimidin-2-yl)-3-oxo-1H-pyrazol-4-yl]diazenyl]benzoic acid
CID 136864749
4-[[4-(dimethylamino)phenyl]diazenyl]-5-methyl-2-[5-(3-nitrophenyl)-1,3-thiazol-2-yl]-1H-pyrazol-3-one
CID 4038812
2-(5-ethyl-4-methoxy-6-methylpyrimidin-2-yl)-5-methyl-4-[(4-methylphenyl)diazenyl]-1H-pyrazol-3-one
CID 136864869
4-(dimethylamino)-N-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]benzamide
CID 136636702
4-[(4-hydroxyphenyl)diazenyl]-5-methyl-2-phenyl-1H-pyrazol-3-one
CID 811786
2-(4-chloro-5-ethyl-6-methylpyrimidin-2-yl)-5-methyl-4-[(4-methylphenyl)diazenyl]-1H-pyrazol-3-one
CID 136864868
4-[(4-chlorophenyl)diazenyl]-2-(5-ethyl-4-methoxy-6-methylpyrimidin-2-yl)-5-methyl-1H-pyrazol-3-one
CID 136864884
4-[(4-ethylphenyl)diazenyl]-5-methyl-2-phenyl-1H-pyrazol-3-one
CID 135604011
4-[[5-methyl-3-oxo-2-(4-sulfophenyl)-1H-pyrazol-4-yl]diazenyl]benzenesulfonic acid
CID 135564870

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-(dimethylamino)phenyl]diazenyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]-4,5-dimethyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[4-[[4-(dimethylamino)phenyl]diazenyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]-4,5-dimethyl-1H-pyrimidin-6-one (CID 136864762) is 2-[4-[[4-(dimethylamino)phenyl]diazenyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]-4,5-dimethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[4-[[4-(dimethylamino)phenyl]diazenyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]-4,5-dimethyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[4-[[4-(dimethylamino)phenyl]diazenyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]-4,5-dimethyl-1H-pyrimidin-6-one is Cc1nc(-n2[nH]c(C)c(/N=N/c3ccc(N(C)C)cc3)c2=O)[nH]c(=O)c1C.
What is the InChIKey of 2-[4-[[4-(dimethylamino)phenyl]diazenyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]-4,5-dimethyl-1H-pyrimidin-6-one?
The InChIKey is WLUWIRLJMJDYBU-QURGRASLSA-N. The full InChI is InChI=1S/C18H21N7O2/c1-10-11(2)19-18(20-16(10)26)25-17(27)15(12(3)23-25)22-21-13-6-8-14(9-7-13)24(4)5/h6-9,23H,1-5H3,(H,19,20,26)/b22-21+.
What are the key properties of 2-[4-[[4-(dimethylamino)phenyl]diazenyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]-4,5-dimethyl-1H-pyrimidin-6-one?
2-[4-[[4-(dimethylamino)phenyl]diazenyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]-4,5-dimethyl-1H-pyrimidin-6-one has a molecular weight of 367.41 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-(dimethylamino)phenyl]diazenyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]-4,5-dimethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136864762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).