4-[(2-hydroxyphenyl)methylideneamino]-1,2-dimethyl-5-phenylpyrazol-3-one

C18H17N3O2 — CID 135746649

IUPAC4-[(2-hydroxyphenyl)methylideneamino]-1,2-dimethyl-5-phenylpyrazol-3-one
SMILESCn1c(-c2ccccc2)c(/N=C/c2ccccc2O)c(=O)n1C
InChIInChI=1S/C18H17N3O2/c1-20-17(13-8-4-3-5-9-13)16(18(23)21(20)2)19-12-14-10-6-7-11-15(14)22/h3-12,22H,1-2H3/b19-12+
InChIKeyOMWXWVZDZXPDKE-XDHOZWIPSA-N
MW307.35 g/mol
LogP2.85
Rot. Bonds3

About 4-[(2-hydroxyphenyl)methylideneamino]-1,2-dimethyl-5-phenylpyrazol-3-one

4-[(2-hydroxyphenyl)methylideneamino]-1,2-dimethyl-5-phenylpyrazol-3-one (PubChem CID 135746649) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 4-[(2-hydroxyphenyl)methylideneamino]-1,2-dimethyl-5-phenylpyrazol-3-one.

Molecular Properties

Compound Name4-[(2-hydroxyphenyl)methylideneamino]-1,2-dimethyl-5-phenylpyrazol-3-one
PubChem CID135746649
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name4-[(2-hydroxyphenyl)methylideneamino]-1,2-dimethyl-5-phenylpyrazol-3-one
SMILESCn1c(-c2ccccc2)c(/N=C/c2ccccc2O)c(=O)n1C
InChIInChI=1S/C18H17N3O2/c1-20-17(13-8-4-3-5-9-13)16(18(23)21(20)2)19-12-14-10-6-7-11-15(14)22/h3-12,22H,1-2H3/b19-12+
InChIKeyOMWXWVZDZXPDKE-XDHOZWIPSA-N
XLogP2.85
TPSA59.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-hydroxyphenyl)methylideneamino]-1,2-dimethyl-5-phenylpyrazol-3-one?
The IUPAC name of 4-[(2-hydroxyphenyl)methylideneamino]-1,2-dimethyl-5-phenylpyrazol-3-one (CID 135746649) is 4-[(2-hydroxyphenyl)methylideneamino]-1,2-dimethyl-5-phenylpyrazol-3-one.
What is the SMILES notation for 4-[(2-hydroxyphenyl)methylideneamino]-1,2-dimethyl-5-phenylpyrazol-3-one?
The canonical SMILES for 4-[(2-hydroxyphenyl)methylideneamino]-1,2-dimethyl-5-phenylpyrazol-3-one is Cn1c(-c2ccccc2)c(/N=C/c2ccccc2O)c(=O)n1C.
What is the InChIKey of 4-[(2-hydroxyphenyl)methylideneamino]-1,2-dimethyl-5-phenylpyrazol-3-one?
The InChIKey is OMWXWVZDZXPDKE-XDHOZWIPSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-20-17(13-8-4-3-5-9-13)16(18(23)21(20)2)19-12-14-10-6-7-11-15(14)22/h3-12,22H,1-2H3/b19-12+.
What are the key properties of 4-[(2-hydroxyphenyl)methylideneamino]-1,2-dimethyl-5-phenylpyrazol-3-one?
4-[(2-hydroxyphenyl)methylideneamino]-1,2-dimethyl-5-phenylpyrazol-3-one has a molecular weight of 307.35 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-hydroxyphenyl)methylideneamino]-1,2-dimethyl-5-phenylpyrazol-3-one is sourced from PubChem (CID 135746649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).