4-amino-1-[2-(2-hydroxyphenyl)ethenyl]-5-methyl-2-phenylpyrazol-3-one

C18H17N3O2 — CID 123644152

IUPAC4-amino-1-[2-(2-hydroxyphenyl)ethenyl]-5-methyl-2-phenylpyrazol-3-one
SMILESCc1c(N)c(=O)n(-c2ccccc2)n1C=Cc1ccccc1O
InChIInChI=1S/C18H17N3O2/c1-13-17(19)18(23)21(15-8-3-2-4-9-15)20(13)12-11-14-7-5-6-10-16(14)22/h2-12,22H,19H2,1H3
InChIKeyVMIJYQKRFVREBG-UHFFFAOYSA-N
MW307.35 g/mol
LogP2.86
Rot. Bonds3

About 4-amino-1-[2-(2-hydroxyphenyl)ethenyl]-5-methyl-2-phenylpyrazol-3-one

4-amino-1-[2-(2-hydroxyphenyl)ethenyl]-5-methyl-2-phenylpyrazol-3-one (PubChem CID 123644152) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 4-amino-1-[2-(2-hydroxyphenyl)ethenyl]-5-methyl-2-phenylpyrazol-3-one.

Molecular Properties

Compound Name4-amino-1-[2-(2-hydroxyphenyl)ethenyl]-5-methyl-2-phenylpyrazol-3-one
PubChem CID123644152
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name4-amino-1-[2-(2-hydroxyphenyl)ethenyl]-5-methyl-2-phenylpyrazol-3-one
SMILESCc1c(N)c(=O)n(-c2ccccc2)n1C=Cc1ccccc1O
InChIInChI=1S/C18H17N3O2/c1-13-17(19)18(23)21(15-8-3-2-4-9-15)20(13)12-11-14-7-5-6-10-16(14)22/h2-12,22H,19H2,1H3
InChIKeyVMIJYQKRFVREBG-UHFFFAOYSA-N
XLogP2.86
TPSA73.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[2-(2-hydroxyphenyl)ethenyl]-5-methyl-2-phenylpyrazol-3-one?
The IUPAC name of 4-amino-1-[2-(2-hydroxyphenyl)ethenyl]-5-methyl-2-phenylpyrazol-3-one (CID 123644152) is 4-amino-1-[2-(2-hydroxyphenyl)ethenyl]-5-methyl-2-phenylpyrazol-3-one.
What is the SMILES notation for 4-amino-1-[2-(2-hydroxyphenyl)ethenyl]-5-methyl-2-phenylpyrazol-3-one?
The canonical SMILES for 4-amino-1-[2-(2-hydroxyphenyl)ethenyl]-5-methyl-2-phenylpyrazol-3-one is Cc1c(N)c(=O)n(-c2ccccc2)n1C=Cc1ccccc1O.
What is the InChIKey of 4-amino-1-[2-(2-hydroxyphenyl)ethenyl]-5-methyl-2-phenylpyrazol-3-one?
The InChIKey is VMIJYQKRFVREBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-13-17(19)18(23)21(15-8-3-2-4-9-15)20(13)12-11-14-7-5-6-10-16(14)22/h2-12,22H,19H2,1H3.
What are the key properties of 4-amino-1-[2-(2-hydroxyphenyl)ethenyl]-5-methyl-2-phenylpyrazol-3-one?
4-amino-1-[2-(2-hydroxyphenyl)ethenyl]-5-methyl-2-phenylpyrazol-3-one has a molecular weight of 307.35 g/mol, XLogP of 2.86, 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-(2-hydroxyphenyl)ethenyl]-5-methyl-2-phenylpyrazol-3-one is sourced from PubChem (CID 123644152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).