4-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-2-methylphenol

C14H19N3O — CID 112669125

IUPAC4-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-2-methylphenol
SMILESCCc1nn(C)cc1CNc1ccc(O)c(C)c1
InChIInChI=1S/C14H19N3O/c1-4-13-11(9-17(3)16-13)8-15-12-5-6-14(18)10(2)7-12/h5-7,9,15,18H,4,8H2,1-3H3
InChIKeyFYOUJMQWRCNCEC-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.61
Rot. Bonds4

About 4-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-2-methylphenol

4-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-2-methylphenol (PubChem CID 112669125) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 4-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-2-methylphenol.

Molecular Properties

Compound Name4-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-2-methylphenol
PubChem CID112669125
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name4-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-2-methylphenol
SMILESCCc1nn(C)cc1CNc1ccc(O)c(C)c1
InChIInChI=1S/C14H19N3O/c1-4-13-11(9-17(3)16-13)8-15-12-5-6-14(18)10(2)7-12/h5-7,9,15,18H,4,8H2,1-3H3
InChIKeyFYOUJMQWRCNCEC-UHFFFAOYSA-N
XLogP2.61
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-2-methylphenol 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-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]phenol
CID 112668893
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3,5-dimethylaniline
CID 112549337
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methylsulfanylaniline
CID 112549346
3-ethyl-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]aniline
CID 112549341
2-[4-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]phenyl]ethanol
CID 112549620
2-[[(3-ethyl-1-methylpyrazol-4-yl)methylamino]methyl]-4-methylphenol
CID 112550131
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-fluoro-3-(trifluoromethyl)aniline
CID 115989727
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]thiophen-3-amine
CID 112669078
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-fluoro-3-methoxyaniline
CID 114838534
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1,3-benzothiazol-6-amine
CID 103894044
3-ethoxy-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methoxyaniline
CID 115885541
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methylsulfonylaniline
CID 115989506

Frequently Asked Questions

What is the IUPAC name of 4-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-2-methylphenol?
The IUPAC name of 4-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-2-methylphenol (CID 112669125) is 4-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-2-methylphenol.
What is the SMILES notation for 4-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-2-methylphenol?
The canonical SMILES for 4-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-2-methylphenol is CCc1nn(C)cc1CNc1ccc(O)c(C)c1.
What is the InChIKey of 4-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-2-methylphenol?
The InChIKey is FYOUJMQWRCNCEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-4-13-11(9-17(3)16-13)8-15-12-5-6-14(18)10(2)7-12/h5-7,9,15,18H,4,8H2,1-3H3.
What are the key properties of 4-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-2-methylphenol?
4-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-2-methylphenol has a molecular weight of 245.33 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-2-methylphenol is sourced from PubChem (CID 112669125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).