4-[[(1-ethylpyrazol-4-yl)amino]methyl]-2,6-dimethoxyphenol

C14H19N3O3 — CID 19625872

IUPAC4-[[(1-ethylpyrazol-4-yl)amino]methyl]-2,6-dimethoxyphenol
SMILESCCn1cc(NCc2cc(OC)c(O)c(OC)c2)cn1
InChIInChI=1S/C14H19N3O3/c1-4-17-9-11(8-16-17)15-7-10-5-12(19-2)14(18)13(6-10)20-3/h5-6,8-9,15,18H,4,7H2,1-3H3
InChIKeyPZSRZWYUCHWPEQ-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.24
Rot. Bonds6

About 4-[[(1-ethylpyrazol-4-yl)amino]methyl]-2,6-dimethoxyphenol

4-[[(1-ethylpyrazol-4-yl)amino]methyl]-2,6-dimethoxyphenol (PubChem CID 19625872) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 4-[[(1-ethylpyrazol-4-yl)amino]methyl]-2,6-dimethoxyphenol.

Molecular Properties

Compound Name4-[[(1-ethylpyrazol-4-yl)amino]methyl]-2,6-dimethoxyphenol
PubChem CID19625872
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name4-[[(1-ethylpyrazol-4-yl)amino]methyl]-2,6-dimethoxyphenol
SMILESCCn1cc(NCc2cc(OC)c(O)c(OC)c2)cn1
InChIInChI=1S/C14H19N3O3/c1-4-17-9-11(8-16-17)15-7-10-5-12(19-2)14(18)13(6-10)20-3/h5-6,8-9,15,18H,4,7H2,1-3H3
InChIKeyPZSRZWYUCHWPEQ-UHFFFAOYSA-N
XLogP2.24
TPSA68.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[[(1-ethylpyrazol-4-yl)amino]methyl]-2,6-dimethoxyphenol with MolForge

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-1-ethylpyrazol-4-amine
CID 19625859
N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-1-ethylpyrazol-4-amine
CID 43776973
1-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]pyrazol-4-amine
CID 54939751
1-ethyl-N-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazol-4-amine
CID 19625865
4-[[(1-ethylpyrazol-4-yl)amino]methyl]phenol
CID 19627559
1-ethyl-N-[(2-methoxyphenyl)methyl]pyrazol-4-amine
CID 19625854
2-[4-[(1-ethylpyrazol-4-yl)methylamino]pyrazol-1-yl]ethanol
CID 122166813
2-[4-[(3,5-dimethoxyphenyl)methylamino]pyrazol-1-yl]ethanol
CID 110928974
2-[4-[(4-methoxy-3-propoxyphenyl)methylamino]pyrazol-1-yl]ethanol
CID 110928951
4-bromo-N-[(1-ethylpyrazol-4-yl)methyl]-3-methoxyaniline
CID 71982518
N-[(1-ethylpyrazol-4-yl)methyl]-1-(3,4,5-trimethoxyphenyl)methanamine
CID 19624946
1-ethyl-N-[(1-propylpyrazol-4-yl)methyl]pyrazol-4-amine;hydrochloride
CID 126964986

Frequently Asked Questions

What is the IUPAC name of 4-[[(1-ethylpyrazol-4-yl)amino]methyl]-2,6-dimethoxyphenol?
The IUPAC name of 4-[[(1-ethylpyrazol-4-yl)amino]methyl]-2,6-dimethoxyphenol (CID 19625872) is 4-[[(1-ethylpyrazol-4-yl)amino]methyl]-2,6-dimethoxyphenol.
What is the SMILES notation for 4-[[(1-ethylpyrazol-4-yl)amino]methyl]-2,6-dimethoxyphenol?
The canonical SMILES for 4-[[(1-ethylpyrazol-4-yl)amino]methyl]-2,6-dimethoxyphenol is CCn1cc(NCc2cc(OC)c(O)c(OC)c2)cn1.
What is the InChIKey of 4-[[(1-ethylpyrazol-4-yl)amino]methyl]-2,6-dimethoxyphenol?
The InChIKey is PZSRZWYUCHWPEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-4-17-9-11(8-16-17)15-7-10-5-12(19-2)14(18)13(6-10)20-3/h5-6,8-9,15,18H,4,7H2,1-3H3.
What are the key properties of 4-[[(1-ethylpyrazol-4-yl)amino]methyl]-2,6-dimethoxyphenol?
4-[[(1-ethylpyrazol-4-yl)amino]methyl]-2,6-dimethoxyphenol has a molecular weight of 277.32 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1-ethylpyrazol-4-yl)amino]methyl]-2,6-dimethoxyphenol is sourced from PubChem (CID 19625872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).