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

C19H21N3O2 — CID 2901784

IUPAC4-[1-(2-hydroxyphenyl)ethylamino]-1,5-dimethyl-2-phenylpyrazol-3-one
SMILESCc1c(NC(C)c2ccccc2O)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C19H21N3O2/c1-13(16-11-7-8-12-17(16)23)20-18-14(2)21(3)22(19(18)24)15-9-5-4-6-10-15/h4-13,20,23H,1-3H3
InChIKeyCXJGRVNUWQTPBB-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.36
Rot. Bonds4

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

4-[1-(2-hydroxyphenyl)ethylamino]-1,5-dimethyl-2-phenylpyrazol-3-one (PubChem CID 2901784) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 4-[1-(2-hydroxyphenyl)ethylamino]-1,5-dimethyl-2-phenylpyrazol-3-one.

Molecular Properties

Compound Name4-[1-(2-hydroxyphenyl)ethylamino]-1,5-dimethyl-2-phenylpyrazol-3-one
PubChem CID2901784
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name4-[1-(2-hydroxyphenyl)ethylamino]-1,5-dimethyl-2-phenylpyrazol-3-one
SMILESCc1c(NC(C)c2ccccc2O)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C19H21N3O2/c1-13(16-11-7-8-12-17(16)23)20-18-14(2)21(3)22(19(18)24)15-9-5-4-6-10-15/h4-13,20,23H,1-3H3
InChIKeyCXJGRVNUWQTPBB-UHFFFAOYSA-N
XLogP3.36
TPSA59.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 4-[1-(2-hydroxyphenyl)ethylamino]-1,5-dimethyl-2-phenylpyrazol-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(2-hydroxybenzyl)amino]-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
CID 3595244
Tyr-D-Ala-Gly-NMePhe
CID 45483974
(2Z)-2-(acetylamino)-N-(4-hydroxyphenyl)-3-phenylprop-2-enamide
CID 5403184
1,2-Dihydro-4-(((2-hydroxyphenyl)methylene)amino)-1,5-dimethyl-2-phenyl-3H-pyrazol-3-one
CID 207856
2(1H)-Pyridinone, 5-ethyl-3-(((2-hydroxyphenyl)methyl)amino)-6-methyl-
CID 454357
4-[(2-Hydroxy-3-prop-2-enylphenyl)methylamino]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 753624
4-[(3,5-Dichloro-2-hydroxyphenyl)methylamino]-1,5-dimethyl-2-phenyl-3-pyrazolone
CID 1161100
N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-2-[4-(4-hydroxyphenyl)-1-piperazinyl]acetamide
CID 2460071
(E)-2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)diazenyl]-3-hydroxy-N,3-diphenylprop-2-enamide
CID 135439819
5-(4-Hydroxy-phenyl)-1-phenyl-3-phenylamino-1,5-dihydro-pyrrol-2-one
CID 3829419
4-[(5-chloro-2-hydroxybenzyl)amino]-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
CID 948314
Salicylamide, N-antipyrinyl-N-ethyl-
CID 203778

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-hydroxyphenyl)ethylamino]-1,5-dimethyl-2-phenylpyrazol-3-one?
The IUPAC name of 4-[1-(2-hydroxyphenyl)ethylamino]-1,5-dimethyl-2-phenylpyrazol-3-one (CID 2901784) is 4-[1-(2-hydroxyphenyl)ethylamino]-1,5-dimethyl-2-phenylpyrazol-3-one.
What is the SMILES notation for 4-[1-(2-hydroxyphenyl)ethylamino]-1,5-dimethyl-2-phenylpyrazol-3-one?
The canonical SMILES for 4-[1-(2-hydroxyphenyl)ethylamino]-1,5-dimethyl-2-phenylpyrazol-3-one is Cc1c(NC(C)c2ccccc2O)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of 4-[1-(2-hydroxyphenyl)ethylamino]-1,5-dimethyl-2-phenylpyrazol-3-one?
The InChIKey is CXJGRVNUWQTPBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-13(16-11-7-8-12-17(16)23)20-18-14(2)21(3)22(19(18)24)15-9-5-4-6-10-15/h4-13,20,23H,1-3H3.
What are the key properties of 4-[1-(2-hydroxyphenyl)ethylamino]-1,5-dimethyl-2-phenylpyrazol-3-one?
4-[1-(2-hydroxyphenyl)ethylamino]-1,5-dimethyl-2-phenylpyrazol-3-one has a molecular weight of 323.40 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-hydroxyphenyl)ethylamino]-1,5-dimethyl-2-phenylpyrazol-3-one is sourced from PubChem (CID 2901784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).