2-[[(3,5-dimethyl-1H-pyrazol-4-yl)amino]methyl]-6-ethoxyphenol

C14H19N3O2 — CID 43547329

IUPAC2-[[(3,5-dimethyl-1H-pyrazol-4-yl)amino]methyl]-6-ethoxyphenol
SMILESCCOc1cccc(CNc2c(C)n[nH]c2C)c1O
InChIInChI=1S/C14H19N3O2/c1-4-19-12-7-5-6-11(14(12)18)8-15-13-9(2)16-17-10(13)3/h5-7,15,18H,4,8H2,1-3H3,(H,16,17)
InChIKeyAWKYIZKAXCEBKH-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.74
Rot. Bonds5

About 2-[[(3,5-dimethyl-1H-pyrazol-4-yl)amino]methyl]-6-ethoxyphenol

2-[[(3,5-dimethyl-1H-pyrazol-4-yl)amino]methyl]-6-ethoxyphenol (PubChem CID 43547329) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-[[(3,5-dimethyl-1H-pyrazol-4-yl)amino]methyl]-6-ethoxyphenol.

Molecular Properties

Compound Name2-[[(3,5-dimethyl-1H-pyrazol-4-yl)amino]methyl]-6-ethoxyphenol
PubChem CID43547329
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name2-[[(3,5-dimethyl-1H-pyrazol-4-yl)amino]methyl]-6-ethoxyphenol
SMILESCCOc1cccc(CNc2c(C)n[nH]c2C)c1O
InChIInChI=1S/C14H19N3O2/c1-4-19-12-7-5-6-11(14(12)18)8-15-13-9(2)16-17-10(13)3/h5-7,15,18H,4,8H2,1-3H3,(H,16,17)
InChIKeyAWKYIZKAXCEBKH-UHFFFAOYSA-N
XLogP2.74
TPSA70.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-ethoxyphenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine
CID 43547421
2-[(2,6-dibromoanilino)methyl]-6-ethoxyphenol
CID 107597220
2-[(4-bromo-2,6-dimethylanilino)methyl]-6-ethoxyphenol
CID 60944433
N-[(2-ethylphenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine
CID 55066721
2-[[(1,3-dimethylpyrazol-4-yl)amino]methyl]-6-ethoxyphenol
CID 104954462
N-[(2-fluorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine
CID 43547239
N-[(2-bromophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine
CID 43547216
2-[(3-bromo-5-methylanilino)methyl]-6-ethoxyphenol
CID 104938251
2-[(3-bromo-2-methylanilino)methyl]-6-ethoxyphenol
CID 103818301
2-ethoxy-6-[(3-iodoanilino)methyl]phenol
CID 28977257
2-ethoxy-6-[[(1-methylpyrazol-4-yl)amino]methyl]phenol
CID 43534946
2-[(2-chloro-4-methylanilino)methyl]-6-ethoxyphenol
CID 28967743

Frequently Asked Questions

What is the IUPAC name of 2-[[(3,5-dimethyl-1H-pyrazol-4-yl)amino]methyl]-6-ethoxyphenol?
The IUPAC name of 2-[[(3,5-dimethyl-1H-pyrazol-4-yl)amino]methyl]-6-ethoxyphenol (CID 43547329) is 2-[[(3,5-dimethyl-1H-pyrazol-4-yl)amino]methyl]-6-ethoxyphenol.
What is the SMILES notation for 2-[[(3,5-dimethyl-1H-pyrazol-4-yl)amino]methyl]-6-ethoxyphenol?
The canonical SMILES for 2-[[(3,5-dimethyl-1H-pyrazol-4-yl)amino]methyl]-6-ethoxyphenol is CCOc1cccc(CNc2c(C)n[nH]c2C)c1O.
What is the InChIKey of 2-[[(3,5-dimethyl-1H-pyrazol-4-yl)amino]methyl]-6-ethoxyphenol?
The InChIKey is AWKYIZKAXCEBKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-4-19-12-7-5-6-11(14(12)18)8-15-13-9(2)16-17-10(13)3/h5-7,15,18H,4,8H2,1-3H3,(H,16,17).
What are the key properties of 2-[[(3,5-dimethyl-1H-pyrazol-4-yl)amino]methyl]-6-ethoxyphenol?
2-[[(3,5-dimethyl-1H-pyrazol-4-yl)amino]methyl]-6-ethoxyphenol has a molecular weight of 261.32 g/mol, XLogP of 2.74, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3,5-dimethyl-1H-pyrazol-4-yl)amino]methyl]-6-ethoxyphenol is sourced from PubChem (CID 43547329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).