2-[[(1-ethyl-3-methylpyrazol-4-yl)methylamino]methyl]-6-methoxyphenol

C15H21N3O2 — CID 19627542

IUPAC2-[[(1-ethyl-3-methylpyrazol-4-yl)methylamino]methyl]-6-methoxyphenol
SMILESCCn1cc(CNCc2cccc(OC)c2O)c(C)n1
InChIInChI=1S/C15H21N3O2/c1-4-18-10-13(11(2)17-18)9-16-8-12-6-5-7-14(20-3)15(12)19/h5-7,10,16,19H,4,8-9H2,1-3H3
InChIKeyAADZCAPGQRLJIC-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.22
Rot. Bonds6

About 2-[[(1-ethyl-3-methylpyrazol-4-yl)methylamino]methyl]-6-methoxyphenol

2-[[(1-ethyl-3-methylpyrazol-4-yl)methylamino]methyl]-6-methoxyphenol (PubChem CID 19627542) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-[[(1-ethyl-3-methylpyrazol-4-yl)methylamino]methyl]-6-methoxyphenol.

Molecular Properties

Compound Name2-[[(1-ethyl-3-methylpyrazol-4-yl)methylamino]methyl]-6-methoxyphenol
PubChem CID19627542
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name2-[[(1-ethyl-3-methylpyrazol-4-yl)methylamino]methyl]-6-methoxyphenol
SMILESCCn1cc(CNCc2cccc(OC)c2O)c(C)n1
InChIInChI=1S/C15H21N3O2/c1-4-18-10-13(11(2)17-18)9-16-8-12-6-5-7-14(20-3)15(12)19/h5-7,10,16,19H,4,8-9H2,1-3H3
InChIKeyAADZCAPGQRLJIC-UHFFFAOYSA-N
XLogP2.22
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 ≤ 52.22
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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Frequently Asked Questions

What is the IUPAC name of 2-[[(1-ethyl-3-methylpyrazol-4-yl)methylamino]methyl]-6-methoxyphenol?
The IUPAC name of 2-[[(1-ethyl-3-methylpyrazol-4-yl)methylamino]methyl]-6-methoxyphenol (CID 19627542) is 2-[[(1-ethyl-3-methylpyrazol-4-yl)methylamino]methyl]-6-methoxyphenol.
What is the SMILES notation for 2-[[(1-ethyl-3-methylpyrazol-4-yl)methylamino]methyl]-6-methoxyphenol?
The canonical SMILES for 2-[[(1-ethyl-3-methylpyrazol-4-yl)methylamino]methyl]-6-methoxyphenol is CCn1cc(CNCc2cccc(OC)c2O)c(C)n1.
What is the InChIKey of 2-[[(1-ethyl-3-methylpyrazol-4-yl)methylamino]methyl]-6-methoxyphenol?
The InChIKey is AADZCAPGQRLJIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-4-18-10-13(11(2)17-18)9-16-8-12-6-5-7-14(20-3)15(12)19/h5-7,10,16,19H,4,8-9H2,1-3H3.
What are the key properties of 2-[[(1-ethyl-3-methylpyrazol-4-yl)methylamino]methyl]-6-methoxyphenol?
2-[[(1-ethyl-3-methylpyrazol-4-yl)methylamino]methyl]-6-methoxyphenol has a molecular weight of 275.35 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1-ethyl-3-methylpyrazol-4-yl)methylamino]methyl]-6-methoxyphenol is sourced from PubChem (CID 19627542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).