4-[[(3-ethyl-1-methylpyrazol-4-yl)amino]methyl]-2,6-dimethoxyphenol

C15H21N3O3 — CID 107462452

IUPAC4-[[(3-ethyl-1-methylpyrazol-4-yl)amino]methyl]-2,6-dimethoxyphenol
SMILESCCc1nn(C)cc1NCc1cc(OC)c(O)c(OC)c1
InChIInChI=1S/C15H21N3O3/c1-5-11-12(9-18(2)17-11)16-8-10-6-13(20-3)15(19)14(7-10)21-4/h6-7,9,16,19H,5,8H2,1-4H3
InChIKeyGLFMNNCGRAGWAC-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.32
Rot. Bonds6

About 4-[[(3-ethyl-1-methylpyrazol-4-yl)amino]methyl]-2,6-dimethoxyphenol

4-[[(3-ethyl-1-methylpyrazol-4-yl)amino]methyl]-2,6-dimethoxyphenol (PubChem CID 107462452) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 4-[[(3-ethyl-1-methylpyrazol-4-yl)amino]methyl]-2,6-dimethoxyphenol.

Molecular Properties

Compound Name4-[[(3-ethyl-1-methylpyrazol-4-yl)amino]methyl]-2,6-dimethoxyphenol
PubChem CID107462452
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name4-[[(3-ethyl-1-methylpyrazol-4-yl)amino]methyl]-2,6-dimethoxyphenol
SMILESCCc1nn(C)cc1NCc1cc(OC)c(O)c(OC)c1
InChIInChI=1S/C15H21N3O3/c1-5-11-12(9-18(2)17-11)16-8-10-6-13(20-3)15(19)14(7-10)21-4/h6-7,9,16,19H,5,8H2,1-4H3
InChIKeyGLFMNNCGRAGWAC-UHFFFAOYSA-N
XLogP2.32
TPSA68.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-bromo-4-[[(3-ethyl-1-methylpyrazol-4-yl)amino]methyl]-6-methoxyphenol
CID 103909123
N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-3-ethyl-1-methylpyrazol-4-amine
CID 103909106
2-ethoxy-4-[[(3-ethyl-1-methylpyrazol-4-yl)amino]methyl]phenol
CID 107462470
N-[(2,5-dimethoxyphenyl)methyl]-3-ethyl-1-methylpyrazol-4-amine
CID 103909000
3-ethyl-1-methyl-N-[(3,4,5-trifluorophenyl)methyl]pyrazol-4-amine
CID 103909014
3-ethyl-N-[[3-(methoxymethyl)phenyl]methyl]-1-methylpyrazol-4-amine
CID 103909192
N-(2,2-dimethylpropyl)-3-ethyl-1-methylpyrazol-4-amine
CID 115898031
3-ethyl-N-[(2-methoxy-5-nitrophenyl)methyl]-1-methylpyrazol-4-amine
CID 107462923
3-ethyl-1-methyl-N-(1H-pyrrol-3-ylmethyl)pyrazol-4-amine
CID 115897990
5-bromo-N-(3-ethyl-1-methylpyrazol-4-yl)-2-methoxybenzenesulfonamide
CID 103908024
N-(3-ethyl-1-methylpyrazol-4-yl)-3-hydroxy-4-methoxybenzamide
CID 103910805
4-[[(1-ethylpyrazol-4-yl)amino]methyl]-2,6-dimethoxyphenol
CID 19625872

Frequently Asked Questions

What is the IUPAC name of 4-[[(3-ethyl-1-methylpyrazol-4-yl)amino]methyl]-2,6-dimethoxyphenol?
The IUPAC name of 4-[[(3-ethyl-1-methylpyrazol-4-yl)amino]methyl]-2,6-dimethoxyphenol (CID 107462452) is 4-[[(3-ethyl-1-methylpyrazol-4-yl)amino]methyl]-2,6-dimethoxyphenol.
What is the SMILES notation for 4-[[(3-ethyl-1-methylpyrazol-4-yl)amino]methyl]-2,6-dimethoxyphenol?
The canonical SMILES for 4-[[(3-ethyl-1-methylpyrazol-4-yl)amino]methyl]-2,6-dimethoxyphenol is CCc1nn(C)cc1NCc1cc(OC)c(O)c(OC)c1.
What is the InChIKey of 4-[[(3-ethyl-1-methylpyrazol-4-yl)amino]methyl]-2,6-dimethoxyphenol?
The InChIKey is GLFMNNCGRAGWAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-5-11-12(9-18(2)17-11)16-8-10-6-13(20-3)15(19)14(7-10)21-4/h6-7,9,16,19H,5,8H2,1-4H3.
What are the key properties of 4-[[(3-ethyl-1-methylpyrazol-4-yl)amino]methyl]-2,6-dimethoxyphenol?
4-[[(3-ethyl-1-methylpyrazol-4-yl)amino]methyl]-2,6-dimethoxyphenol has a molecular weight of 291.35 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3-ethyl-1-methylpyrazol-4-yl)amino]methyl]-2,6-dimethoxyphenol is sourced from PubChem (CID 107462452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).