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

C15H21N3O — CID 112550131

IUPAC2-[[(3-ethyl-1-methylpyrazol-4-yl)methylamino]methyl]-4-methylphenol
SMILESCCc1nn(C)cc1CNCc1cc(C)ccc1O
InChIInChI=1S/C15H21N3O/c1-4-14-13(10-18(3)17-14)9-16-8-12-7-11(2)5-6-15(12)19/h5-7,10,16,19H,4,8-9H2,1-3H3
InChIKeyHMSJCTBDHITXGB-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.29
Rot. Bonds5

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

2-[[(3-ethyl-1-methylpyrazol-4-yl)methylamino]methyl]-4-methylphenol (PubChem CID 112550131) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-[[(3-ethyl-1-methylpyrazol-4-yl)methylamino]methyl]-4-methylphenol.

Molecular Properties

Compound Name2-[[(3-ethyl-1-methylpyrazol-4-yl)methylamino]methyl]-4-methylphenol
PubChem CID112550131
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name2-[[(3-ethyl-1-methylpyrazol-4-yl)methylamino]methyl]-4-methylphenol
SMILESCCc1nn(C)cc1CNCc1cc(C)ccc1O
InChIInChI=1S/C15H21N3O/c1-4-14-13(10-18(3)17-14)9-16-8-12-7-11(2)5-6-15(12)19/h5-7,10,16,19H,4,8-9H2,1-3H3
InChIKeyHMSJCTBDHITXGB-UHFFFAOYSA-N
XLogP2.29
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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

3-[[(3-ethyl-1-methylpyrazol-4-yl)methylamino]methyl]benzene-1,2-diol
CID 112640155
4-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-2-methylphenol
CID 112669125
3-[[(3-ethyl-1-methylpyrazol-4-yl)methylamino]methyl]phenol
CID 112549452
2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-N-(4-methylphenyl)acetamide
CID 115989605
5-[[(3-ethyl-1-methylpyrazol-4-yl)methylamino]methyl]-2-methoxyphenol
CID 115885619
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-(5-methyl-3-pyridinyl)methanamine
CID 103894058
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-(3-methylphenyl)ethanamine
CID 112549443
2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-N-(3-methylphenyl)acetamide
CID 115989687
1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]methanamine
CID 115989281
1-(2,3-dimethylphenyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]methanamine
CID 112550132
1-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methylbenzene-1,2-diamine
CID 112668204
2-chloro-6-[[(3-ethyl-1-methylpyrazol-4-yl)methylamino]methyl]phenol
CID 112555032

Frequently Asked Questions

What is the IUPAC name of 2-[[(3-ethyl-1-methylpyrazol-4-yl)methylamino]methyl]-4-methylphenol?
The IUPAC name of 2-[[(3-ethyl-1-methylpyrazol-4-yl)methylamino]methyl]-4-methylphenol (CID 112550131) is 2-[[(3-ethyl-1-methylpyrazol-4-yl)methylamino]methyl]-4-methylphenol.
What is the SMILES notation for 2-[[(3-ethyl-1-methylpyrazol-4-yl)methylamino]methyl]-4-methylphenol?
The canonical SMILES for 2-[[(3-ethyl-1-methylpyrazol-4-yl)methylamino]methyl]-4-methylphenol is CCc1nn(C)cc1CNCc1cc(C)ccc1O.
What is the InChIKey of 2-[[(3-ethyl-1-methylpyrazol-4-yl)methylamino]methyl]-4-methylphenol?
The InChIKey is HMSJCTBDHITXGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-4-14-13(10-18(3)17-14)9-16-8-12-7-11(2)5-6-15(12)19/h5-7,10,16,19H,4,8-9H2,1-3H3.
What are the key properties of 2-[[(3-ethyl-1-methylpyrazol-4-yl)methylamino]methyl]-4-methylphenol?
2-[[(3-ethyl-1-methylpyrazol-4-yl)methylamino]methyl]-4-methylphenol has a molecular weight of 259.35 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3-ethyl-1-methylpyrazol-4-yl)methylamino]methyl]-4-methylphenol is sourced from PubChem (CID 112550131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).