2-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]-6-ethoxyphenol

C15H21N3O2 — CID 103859268

IUPAC2-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]-6-ethoxyphenol
SMILESCCOc1cccc(CNCc2cnn(C)c2C)c1O
InChIInChI=1S/C15H21N3O2/c1-4-20-14-7-5-6-12(15(14)19)8-16-9-13-10-17-18(3)11(13)2/h5-7,10,16,19H,4,8-9H2,1-3H3
InChIKeyMQEGJJBEFXESRQ-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.12
Rot. Bonds6

About 2-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]-6-ethoxyphenol

2-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]-6-ethoxyphenol (PubChem CID 103859268) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]-6-ethoxyphenol.

Molecular Properties

Compound Name2-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]-6-ethoxyphenol
PubChem CID103859268
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name2-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]-6-ethoxyphenol
SMILESCCOc1cccc(CNCc2cnn(C)c2C)c1O
InChIInChI=1S/C15H21N3O2/c1-4-20-14-7-5-6-12(15(14)19)8-16-9-13-10-17-18(3)11(13)2/h5-7,10,16,19H,4,8-9H2,1-3H3
InChIKeyMQEGJJBEFXESRQ-UHFFFAOYSA-N
XLogP2.12
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]-6-ethoxyphenol 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-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]-2-ethoxyphenol
CID 103851618
2-ethoxy-6-[[(3-methyl-4-pyridinyl)methylamino]methyl]phenol
CID 114698563
1-(2,3-dimethoxyphenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]methanamine
CID 19623107
2-ethoxy-6-[[(1-methylimidazol-2-yl)methylamino]methyl]phenol
CID 63237468
2-ethoxy-6-[(2-pyrazol-1-ylethylamino)methyl]phenol
CID 61459821
2-ethoxy-6-[(pyridin-4-ylmethylamino)methyl]phenol
CID 28669757
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-ethoxybenzamide
CID 19282116
1-(2,3-dimethylphenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]methanamine
CID 103859223
2-ethoxy-6-[[(1-methylpyrazol-4-yl)amino]methyl]phenol
CID 43534946
2-ethoxy-6-[(2-methylbutylamino)methyl]phenol
CID 62693047
2-ethoxy-6-[[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]phenol
CID 63329108
2-[(2,2-difluoroethylamino)methyl]-6-ethoxyphenol
CID 115405717

Frequently Asked Questions

What is the IUPAC name of 2-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]-6-ethoxyphenol?
The IUPAC name of 2-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]-6-ethoxyphenol (CID 103859268) is 2-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]-6-ethoxyphenol.
What is the SMILES notation for 2-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]-6-ethoxyphenol?
The canonical SMILES for 2-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]-6-ethoxyphenol is CCOc1cccc(CNCc2cnn(C)c2C)c1O.
What is the InChIKey of 2-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]-6-ethoxyphenol?
The InChIKey is MQEGJJBEFXESRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-4-20-14-7-5-6-12(15(14)19)8-16-9-13-10-17-18(3)11(13)2/h5-7,10,16,19H,4,8-9H2,1-3H3.
What are the key properties of 2-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]-6-ethoxyphenol?
2-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]-6-ethoxyphenol has a molecular weight of 275.35 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]-6-ethoxyphenol is sourced from PubChem (CID 103859268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).