2-ethoxy-6-[[(1-methylpyrazol-4-yl)amino]methyl]phenol

C13H17N3O2 — CID 43534946

IUPAC2-ethoxy-6-[[(1-methylpyrazol-4-yl)amino]methyl]phenol
SMILESCCOc1cccc(CNc2cnn(C)c2)c1O
InChIInChI=1S/C13H17N3O2/c1-3-18-12-6-4-5-10(13(12)17)7-14-11-8-15-16(2)9-11/h4-6,8-9,14,17H,3,7H2,1-2H3
InChIKeyCHMZXYCHKRLNAS-UHFFFAOYSA-N
MW247.30 g/mol
LogP2.14
Rot. Bonds5

About 2-ethoxy-6-[[(1-methylpyrazol-4-yl)amino]methyl]phenol

2-ethoxy-6-[[(1-methylpyrazol-4-yl)amino]methyl]phenol (PubChem CID 43534946) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 2-ethoxy-6-[[(1-methylpyrazol-4-yl)amino]methyl]phenol.

Molecular Properties

Compound Name2-ethoxy-6-[[(1-methylpyrazol-4-yl)amino]methyl]phenol
PubChem CID43534946
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name2-ethoxy-6-[[(1-methylpyrazol-4-yl)amino]methyl]phenol
SMILESCCOc1cccc(CNc2cnn(C)c2)c1O
InChIInChI=1S/C13H17N3O2/c1-3-18-12-6-4-5-10(13(12)17)7-14-11-8-15-16(2)9-11/h4-6,8-9,14,17H,3,7H2,1-2H3
InChIKeyCHMZXYCHKRLNAS-UHFFFAOYSA-N
XLogP2.14
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-ethoxyphenyl)methyl]-1-methylpyrazol-4-amine
CID 43535024
2-ethoxy-4-[[(1-methylpyrazol-4-yl)amino]methyl]phenol
CID 43535020
2-[[(1,3-dimethylpyrazol-4-yl)amino]methyl]-6-ethoxyphenol
CID 104954462
4-[[(1-methylpyrazol-4-yl)amino]methyl]benzene-1,2,3-triol
CID 103953341
2-ethoxy-6-[(3-iodoanilino)methyl]phenol
CID 28977257
2-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]-6-ethoxyphenol
CID 103859268
2-[(3-bromo-5-methylanilino)methyl]-6-ethoxyphenol
CID 104938251
2-[(3,5-dichloro-4-fluoroanilino)methyl]-6-ethoxyphenol
CID 107572598
2-[(2,6-dibromoanilino)methyl]-6-ethoxyphenol
CID 107597220
3-[[(1-methylpyrazol-4-yl)amino]methyl]phenol
CID 19627574
2-ethoxy-6-[[4-(trifluoromethoxy)anilino]methyl]phenol
CID 51047362
2-ethoxy-6-[(2-pyrazol-1-ylethylamino)methyl]phenol
CID 61459821

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-6-[[(1-methylpyrazol-4-yl)amino]methyl]phenol?
The IUPAC name of 2-ethoxy-6-[[(1-methylpyrazol-4-yl)amino]methyl]phenol (CID 43534946) is 2-ethoxy-6-[[(1-methylpyrazol-4-yl)amino]methyl]phenol.
What is the SMILES notation for 2-ethoxy-6-[[(1-methylpyrazol-4-yl)amino]methyl]phenol?
The canonical SMILES for 2-ethoxy-6-[[(1-methylpyrazol-4-yl)amino]methyl]phenol is CCOc1cccc(CNc2cnn(C)c2)c1O.
What is the InChIKey of 2-ethoxy-6-[[(1-methylpyrazol-4-yl)amino]methyl]phenol?
The InChIKey is CHMZXYCHKRLNAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-3-18-12-6-4-5-10(13(12)17)7-14-11-8-15-16(2)9-11/h4-6,8-9,14,17H,3,7H2,1-2H3.
What are the key properties of 2-ethoxy-6-[[(1-methylpyrazol-4-yl)amino]methyl]phenol?
2-ethoxy-6-[[(1-methylpyrazol-4-yl)amino]methyl]phenol has a molecular weight of 247.30 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-6-[[(1-methylpyrazol-4-yl)amino]methyl]phenol is sourced from PubChem (CID 43534946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).