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

C13H17N3O2 — CID 118337592

IUPAC4-amino-5-(2-hydroxypropyl)-1-methyl-2-phenylpyrazol-3-one
SMILESCC(O)Cc1c(N)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C13H17N3O2/c1-9(17)8-11-12(14)13(18)16(15(11)2)10-6-4-3-5-7-10/h3-7,9,17H,8,14H2,1-2H3
InChIKeyDWUZYOKCQFBPTG-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.68
Rot. Bonds3

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

4-amino-5-(2-hydroxypropyl)-1-methyl-2-phenylpyrazol-3-one (PubChem CID 118337592) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 4-amino-5-(2-hydroxypropyl)-1-methyl-2-phenylpyrazol-3-one.

Molecular Properties

Compound Name4-amino-5-(2-hydroxypropyl)-1-methyl-2-phenylpyrazol-3-one
PubChem CID118337592
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name4-amino-5-(2-hydroxypropyl)-1-methyl-2-phenylpyrazol-3-one
SMILESCC(O)Cc1c(N)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C13H17N3O2/c1-9(17)8-11-12(14)13(18)16(15(11)2)10-6-4-3-5-7-10/h3-7,9,17H,8,14H2,1-2H3
InChIKeyDWUZYOKCQFBPTG-UHFFFAOYSA-N
XLogP0.68
TPSA73.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-1-methyl-2-phenyl-5-propylpyrazol-3-one
CID 43163639
4-amino-5-(4-hydroxybutyl)-1-methyl-2-phenylpyrazol-3-one
CID 118332555
4-amino-1-(2-hydroxyethyl)-5-methyl-2-phenylpyrazol-3-one
CID 118332419
4-amino-2-(4-aminophenyl)-1-methyl-5-phenylpyrazol-3-one
CID 11747946
4-amino-5-ethyl-2-(4-fluorophenyl)-1-methylpyrazol-3-one
CID 43163655
4-amino-2-(4-bromophenyl)-5-(methoxymethyl)-1-methylpyrazol-3-one
CID 55063173
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
1,5-dimethyl-2-phenyl-4-(2,2,2-trichloro-1-hydroxyethyl)pyrazol-3-one
CID 4227069
4-amino-2-(4-fluorophenyl)-1-methyl-5-phenylpyrazol-3-one
CID 43342169
4-amino-1-(aminomethyl)-5-methyl-2-phenylpyrazol-3-one
CID 19908753
5-amino-4-benzyl-1-methyl-2-phenylpyrazol-3-one
CID 154085346
4-iodo-1-methyl-2-phenyl-5-propylpyrazol-3-one
CID 134105729

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(2-hydroxypropyl)-1-methyl-2-phenylpyrazol-3-one?
The IUPAC name of 4-amino-5-(2-hydroxypropyl)-1-methyl-2-phenylpyrazol-3-one (CID 118337592) is 4-amino-5-(2-hydroxypropyl)-1-methyl-2-phenylpyrazol-3-one.
What is the SMILES notation for 4-amino-5-(2-hydroxypropyl)-1-methyl-2-phenylpyrazol-3-one?
The canonical SMILES for 4-amino-5-(2-hydroxypropyl)-1-methyl-2-phenylpyrazol-3-one is CC(O)Cc1c(N)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of 4-amino-5-(2-hydroxypropyl)-1-methyl-2-phenylpyrazol-3-one?
The InChIKey is DWUZYOKCQFBPTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-9(17)8-11-12(14)13(18)16(15(11)2)10-6-4-3-5-7-10/h3-7,9,17H,8,14H2,1-2H3.
What are the key properties of 4-amino-5-(2-hydroxypropyl)-1-methyl-2-phenylpyrazol-3-one?
4-amino-5-(2-hydroxypropyl)-1-methyl-2-phenylpyrazol-3-one has a molecular weight of 247.30 g/mol, XLogP of 0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-(2-hydroxypropyl)-1-methyl-2-phenylpyrazol-3-one is sourced from PubChem (CID 118337592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).