4-amino-1-(2-hydroxyethyl)-5-methyl-2-phenylpyrazol-3-one

C12H15N3O2 — CID 118332419

IUPAC4-amino-1-(2-hydroxyethyl)-5-methyl-2-phenylpyrazol-3-one
SMILESCc1c(N)c(=O)n(-c2ccccc2)n1CCO
InChIInChI=1S/C12H15N3O2/c1-9-11(13)12(17)15(14(9)7-8-16)10-5-3-2-4-6-10/h2-6,16H,7-8,13H2,1H3
InChIKeyIMGCZWGXHPIKPI-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.52
Rot. Bonds3

About 4-amino-1-(2-hydroxyethyl)-5-methyl-2-phenylpyrazol-3-one

4-amino-1-(2-hydroxyethyl)-5-methyl-2-phenylpyrazol-3-one (PubChem CID 118332419) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 4-amino-1-(2-hydroxyethyl)-5-methyl-2-phenylpyrazol-3-one.

Molecular Properties

Compound Name4-amino-1-(2-hydroxyethyl)-5-methyl-2-phenylpyrazol-3-one
PubChem CID118332419
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name4-amino-1-(2-hydroxyethyl)-5-methyl-2-phenylpyrazol-3-one
SMILESCc1c(N)c(=O)n(-c2ccccc2)n1CCO
InChIInChI=1S/C12H15N3O2/c1-9-11(13)12(17)15(14(9)7-8-16)10-5-3-2-4-6-10/h2-6,16H,7-8,13H2,1H3
InChIKeyIMGCZWGXHPIKPI-UHFFFAOYSA-N
XLogP0.52
TPSA73.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-1-(aminomethyl)-5-methyl-2-phenylpyrazol-3-one
CID 19908753
4-amino-5-(4-hydroxybutyl)-1-methyl-2-phenylpyrazol-3-one
CID 118332555
4-amino-2-(4-chlorophenyl)-1-ethyl-5-methylpyrazol-3-one
CID 61271547
4-amino-5-(2-hydroxypropyl)-1-methyl-2-phenylpyrazol-3-one
CID 118337592
4-amino-1-[2-(2-hydroxyphenyl)ethenyl]-5-methyl-2-phenylpyrazol-3-one
CID 123644152
4-amino-5-methyl-1-propyl-2-(3,4,5-trifluorophenyl)pyrazol-3-one
CID 79194183
4-amino-1-methyl-2-phenyl-5-propylpyrazol-3-one
CID 43163639
4-tert-butyl-1-(2-hydroxypropyl)-5-methyl-2-phenylpyrazol-3-one
CID 59383935
4-amino-1,5-dimethyl-2-phenylpyrazol-3-one;N-ethyl-N-methylaniline;propane-1-sulfonic acid
CID 87489474
1,5-dimethyl-2-phenyl-4-[1,2,2-tris(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)ethyl]pyrazol-3-one
CID 3366535
4-amino-2-(4-aminophenyl)-1-methyl-5-phenylpyrazol-3-one
CID 11747946
3-(4-amino-2,3-dimethyl-5-oxopyrazol-1-yl)benzenesulfonic acid
CID 25073338

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(2-hydroxyethyl)-5-methyl-2-phenylpyrazol-3-one?
The IUPAC name of 4-amino-1-(2-hydroxyethyl)-5-methyl-2-phenylpyrazol-3-one (CID 118332419) is 4-amino-1-(2-hydroxyethyl)-5-methyl-2-phenylpyrazol-3-one.
What is the SMILES notation for 4-amino-1-(2-hydroxyethyl)-5-methyl-2-phenylpyrazol-3-one?
The canonical SMILES for 4-amino-1-(2-hydroxyethyl)-5-methyl-2-phenylpyrazol-3-one is Cc1c(N)c(=O)n(-c2ccccc2)n1CCO.
What is the InChIKey of 4-amino-1-(2-hydroxyethyl)-5-methyl-2-phenylpyrazol-3-one?
The InChIKey is IMGCZWGXHPIKPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-9-11(13)12(17)15(14(9)7-8-16)10-5-3-2-4-6-10/h2-6,16H,7-8,13H2,1H3.
What are the key properties of 4-amino-1-(2-hydroxyethyl)-5-methyl-2-phenylpyrazol-3-one?
4-amino-1-(2-hydroxyethyl)-5-methyl-2-phenylpyrazol-3-one has a molecular weight of 233.27 g/mol, XLogP of 0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(2-hydroxyethyl)-5-methyl-2-phenylpyrazol-3-one is sourced from PubChem (CID 118332419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).