4-(dimethylamino)-3-methyl-2-phenyl-1H-pyrazol-5-one

C12H15N3O — CID 18342069

IUPAC4-(dimethylamino)-3-methyl-2-phenyl-1H-pyrazol-5-one
SMILESCc1c(N(C)C)c(=O)[nH]n1-c1ccccc1
InChIInChI=1S/C12H15N3O/c1-9-11(14(2)3)12(16)13-15(9)10-7-5-4-6-8-10/h4-8H,1-3H3,(H,13,16)
InChIKeyCIGUPQVEEQELDF-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.54
Rot. Bonds2

About 4-(dimethylamino)-3-methyl-2-phenyl-1H-pyrazol-5-one

4-(dimethylamino)-3-methyl-2-phenyl-1H-pyrazol-5-one (PubChem CID 18342069) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 4-(dimethylamino)-3-methyl-2-phenyl-1H-pyrazol-5-one.

Molecular Properties

Compound Name4-(dimethylamino)-3-methyl-2-phenyl-1H-pyrazol-5-one
PubChem CID18342069
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name4-(dimethylamino)-3-methyl-2-phenyl-1H-pyrazol-5-one
SMILESCc1c(N(C)C)c(=O)[nH]n1-c1ccccc1
InChIInChI=1S/C12H15N3O/c1-9-11(14(2)3)12(16)13-15(9)10-7-5-4-6-8-10/h4-8H,1-3H3,(H,13,16)
InChIKeyCIGUPQVEEQELDF-UHFFFAOYSA-N
XLogP1.54
TPSA41.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,5-dimethyl-2-phenyl-1H-pyridazine-3,6-dione
CID 59448125
3-methyl-2-phenyl-4-(2,2,2-trifluoro-1-hydroxyethyl)-1H-pyrazol-5-one
CID 135064098
3-methyl-5-oxo-N,2-diphenyl-1H-pyrazole-4-carboxamide
CID 95169945
6-methyl-1-phenyl-2H-indazol-3-one
CID 135011697
4-[(4-methoxyphenyl)-(3-methyl-5-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]-3-methyl-2-phenyl-1H-pyrazol-5-one
CID 95170126
5-methyl-2-phenyl-1H-pyrazol-3-one
CID 67784781
3-(4-methylphenyl)-2,4-diphenyl-1H-pyrazol-5-one
CID 11034751
4,5-dichloro-2-phenyl-1H-pyridazine-3,6-dione
CID 796608
6,7-dimethyl-2-phenyl-3H-pyrido[3,4-d]pyridazine-1,4,5-trione
CID 100921559
3-amino-4-[(4-methylphenyl)diazenyl]-2-phenyl-1H-pyrazol-5-one
CID 135490301
3-cycloheptyl-4-methyl-2-phenyl-1H-pyrazol-5-one
CID 69298374
4-[(dimethylhydrazinylidene)methyl]-5-methyl-2-phenyl-1H-pyrazol-3-one
CID 867753

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-3-methyl-2-phenyl-1H-pyrazol-5-one?
The IUPAC name of 4-(dimethylamino)-3-methyl-2-phenyl-1H-pyrazol-5-one (CID 18342069) is 4-(dimethylamino)-3-methyl-2-phenyl-1H-pyrazol-5-one.
What is the SMILES notation for 4-(dimethylamino)-3-methyl-2-phenyl-1H-pyrazol-5-one?
The canonical SMILES for 4-(dimethylamino)-3-methyl-2-phenyl-1H-pyrazol-5-one is Cc1c(N(C)C)c(=O)[nH]n1-c1ccccc1.
What is the InChIKey of 4-(dimethylamino)-3-methyl-2-phenyl-1H-pyrazol-5-one?
The InChIKey is CIGUPQVEEQELDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-9-11(14(2)3)12(16)13-15(9)10-7-5-4-6-8-10/h4-8H,1-3H3,(H,13,16).
What are the key properties of 4-(dimethylamino)-3-methyl-2-phenyl-1H-pyrazol-5-one?
4-(dimethylamino)-3-methyl-2-phenyl-1H-pyrazol-5-one has a molecular weight of 217.27 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-3-methyl-2-phenyl-1H-pyrazol-5-one is sourced from PubChem (CID 18342069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).