N-[4-hydroxy-3-(2-methylpyrazol-3-yl)phenyl]acetamide;1-[4-hydroxy-3-(2-methylpyrazol-3-yl)phenyl]ethanone

C24H25N5O4 — CID 158147919

IUPACN-[4-hydroxy-3-(2-methylpyrazol-3-yl)phenyl]acetamide;1-[4-hydroxy-3-(2-methylpyrazol-3-yl)phenyl]ethanone
SMILESCC(=O)Nc1ccc(O)c(-c2ccnn2C)c1.CC(=O)c1ccc(O)c(-c2ccnn2C)c1
InChIInChI=1S/C12H13N3O2.C12H12N2O2/c1-8(16)14-9-3-4-12(17)10(7-9)11-5-6-13-15(11)2;1-8(15)9-3-4-12(16)10(7-9)11-5-6-13-14(11)2/h3-7,17H,1-2H3,(H,14,16);3-7,16H,1-2H3
InChIKeyFUSXSYBQHXPCFC-UHFFFAOYSA-N
MW447.50 g/mol
LogP3.75
Rot. Bonds4

About N-[4-hydroxy-3-(2-methylpyrazol-3-yl)phenyl]acetamide;1-[4-hydroxy-3-(2-methylpyrazol-3-yl)phenyl]ethanone

N-[4-hydroxy-3-(2-methylpyrazol-3-yl)phenyl]acetamide;1-[4-hydroxy-3-(2-methylpyrazol-3-yl)phenyl]ethanone (PubChem CID 158147919) has the molecular formula C24H25N5O4 and a molecular weight of 447.50 g/mol. Its IUPAC name is N-[4-hydroxy-3-(2-methylpyrazol-3-yl)phenyl]acetamide;1-[4-hydroxy-3-(2-methylpyrazol-3-yl)phenyl]ethanone.

Molecular Properties

Compound NameN-[4-hydroxy-3-(2-methylpyrazol-3-yl)phenyl]acetamide;1-[4-hydroxy-3-(2-methylpyrazol-3-yl)phenyl]ethanone
PubChem CID158147919
Molecular FormulaC24H25N5O4
Molecular Weight447.50 g/mol
Exact Mass447.19
IUPAC NameN-[4-hydroxy-3-(2-methylpyrazol-3-yl)phenyl]acetamide;1-[4-hydroxy-3-(2-methylpyrazol-3-yl)phenyl]ethanone
SMILESCC(=O)Nc1ccc(O)c(-c2ccnn2C)c1.CC(=O)c1ccc(O)c(-c2ccnn2C)c1
InChIInChI=1S/C12H13N3O2.C12H12N2O2/c1-8(16)14-9-3-4-12(17)10(7-9)11-5-6-13-15(11)2;1-8(15)9-3-4-12(16)10(7-9)11-5-6-13-14(11)2/h3-7,17H,1-2H3,(H,14,16);3-7,16H,1-2H3
InChIKeyFUSXSYBQHXPCFC-UHFFFAOYSA-N
XLogP3.75
TPSA122.27 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.50
LogP ≤ 53.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N-[4-hydroxy-3-(2-methylpyrazol-3-yl)phenyl]acetamide;1-[4-hydroxy-3-(2-methylpyrazol-3-yl)phenyl]ethanone 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

N-[4-[2-(dimethylamino)ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]acetamide;N-[4-hydroxy-3-(2-methylpyrazol-3-yl)phenyl]acetamide
CID 162223075
4-methoxy-2-(2-methylpyrazol-3-yl)phenol
CID 136869284
N-[4-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]acetamide
CID 66928187
2-(4-acetylphenoxy)-N-[4-[2-(4-acetylpiperazin-1-yl)ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]acetamide
CID 68887157
N-[4-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]acetamide
CID 66927836
1-[4-hydroxy-3-(2-methylpyrazol-3-yl)phenyl]propan-2-one;1-[4-methoxy-3-(2-methylpyrazol-3-yl)phenyl]propan-2-one
CID 158858743
N-[3-(2-methylpyrazol-3-yl)-4-[2-(1,3-oxazepan-3-yl)ethoxy]phenyl]acetamide
CID 69370062
4-hydroxy-3-methyl-N-(2-methylpyrazol-3-yl)benzamide
CID 103956818
N-[4-hydroxy-3-(2-methylpyrazol-3-yl)phenyl]-3-methoxybenzamide;3-methoxy-N-[3-(2-methylpyrazol-3-yl)-4-(2-morpholin-4-ium-4-ylethoxy)phenyl]benzamide;chloride
CID 161372591
4-(2-methylpyrazol-3-yl)-3-(trifluoromethyl)benzoic acid
CID 171393077
tert-butyl 4-[[4-acetamido-2-(2-methylpyrazol-3-yl)phenoxy]methyl]piperidine-1-carboxylate
CID 66927954
2-(4-ethylsulfonylphenyl)-N-[4-(2-fluorophenyl)-3-(2-methylpyrazol-3-yl)phenyl]acetamide
CID 71289984

Frequently Asked Questions

What is the IUPAC name of N-[4-hydroxy-3-(2-methylpyrazol-3-yl)phenyl]acetamide;1-[4-hydroxy-3-(2-methylpyrazol-3-yl)phenyl]ethanone?
The IUPAC name of N-[4-hydroxy-3-(2-methylpyrazol-3-yl)phenyl]acetamide;1-[4-hydroxy-3-(2-methylpyrazol-3-yl)phenyl]ethanone (CID 158147919) is N-[4-hydroxy-3-(2-methylpyrazol-3-yl)phenyl]acetamide;1-[4-hydroxy-3-(2-methylpyrazol-3-yl)phenyl]ethanone.
What is the SMILES notation for N-[4-hydroxy-3-(2-methylpyrazol-3-yl)phenyl]acetamide;1-[4-hydroxy-3-(2-methylpyrazol-3-yl)phenyl]ethanone?
The canonical SMILES for N-[4-hydroxy-3-(2-methylpyrazol-3-yl)phenyl]acetamide;1-[4-hydroxy-3-(2-methylpyrazol-3-yl)phenyl]ethanone is CC(=O)Nc1ccc(O)c(-c2ccnn2C)c1.CC(=O)c1ccc(O)c(-c2ccnn2C)c1.
What is the InChIKey of N-[4-hydroxy-3-(2-methylpyrazol-3-yl)phenyl]acetamide;1-[4-hydroxy-3-(2-methylpyrazol-3-yl)phenyl]ethanone?
The InChIKey is FUSXSYBQHXPCFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2.C12H12N2O2/c1-8(16)14-9-3-4-12(17)10(7-9)11-5-6-13-15(11)2;1-8(15)9-3-4-12(16)10(7-9)11-5-6-13-14(11)2/h3-7,17H,1-2H3,(H,14,16);3-7,16H,1-2H3.
What are the key properties of N-[4-hydroxy-3-(2-methylpyrazol-3-yl)phenyl]acetamide;1-[4-hydroxy-3-(2-methylpyrazol-3-yl)phenyl]ethanone?
N-[4-hydroxy-3-(2-methylpyrazol-3-yl)phenyl]acetamide;1-[4-hydroxy-3-(2-methylpyrazol-3-yl)phenyl]ethanone has a molecular weight of 447.50 g/mol, XLogP of 3.75, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-hydroxy-3-(2-methylpyrazol-3-yl)phenyl]acetamide;1-[4-hydroxy-3-(2-methylpyrazol-3-yl)phenyl]ethanone is sourced from PubChem (CID 158147919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).