4-[[1-(1,5-dimethylpyrazol-4-yl)ethylamino]methyl]-2,6-dimethoxyphenol

C16H23N3O3 — CID 19625137

IUPAC4-[[1-(1,5-dimethylpyrazol-4-yl)ethylamino]methyl]-2,6-dimethoxyphenol
SMILESCOc1cc(CNC(C)c2cnn(C)c2C)cc(OC)c1O
InChIInChI=1S/C16H23N3O3/c1-10(13-9-18-19(3)11(13)2)17-8-12-6-14(21-4)16(20)15(7-12)22-5/h6-7,9-10,17,20H,8H2,1-5H3
InChIKeyRJKBWEISZZZBBX-UHFFFAOYSA-N
MW305.38 g/mol
LogP2.30
Rot. Bonds6

About 4-[[1-(1,5-dimethylpyrazol-4-yl)ethylamino]methyl]-2,6-dimethoxyphenol

4-[[1-(1,5-dimethylpyrazol-4-yl)ethylamino]methyl]-2,6-dimethoxyphenol (PubChem CID 19625137) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is 4-[[1-(1,5-dimethylpyrazol-4-yl)ethylamino]methyl]-2,6-dimethoxyphenol.

Molecular Properties

Compound Name4-[[1-(1,5-dimethylpyrazol-4-yl)ethylamino]methyl]-2,6-dimethoxyphenol
PubChem CID19625137
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name4-[[1-(1,5-dimethylpyrazol-4-yl)ethylamino]methyl]-2,6-dimethoxyphenol
SMILESCOc1cc(CNC(C)c2cnn(C)c2C)cc(OC)c1O
InChIInChI=1S/C16H23N3O3/c1-10(13-9-18-19(3)11(13)2)17-8-12-6-14(21-4)16(20)15(7-12)22-5/h6-7,9-10,17,20H,8H2,1-5H3
InChIKeyRJKBWEISZZZBBX-UHFFFAOYSA-N
XLogP2.30
TPSA68.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[[1-(1,5-dimethylpyrazol-4-yl)ethylamino]methyl]-2-methoxyphenoxy]ethanol
CID 110010225
2-[[1-(1,5-dimethylpyrazol-4-yl)ethylamino]methyl]phenol
CID 19627463
N-[(3,4-dimethoxyphenyl)methyl]-1-(1-ethyl-5-methylpyrazol-4-yl)ethanamine
CID 19625214
4-[[1-(1,5-dimethylpyrazol-4-yl)ethylamino]methyl]benzoic acid
CID 65347777
1-(1,5-dimethylpyrazol-4-yl)-N-[(3-iodophenyl)methyl]ethanamine
CID 114282803
1-(2,5-dimethoxyphenyl)-2-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]ethanol
CID 110010175
2,6-dimethoxy-4-[[[(1R)-1-pyridin-4-ylethyl]amino]methyl]phenol
CID 28644929
N-[(3-chloro-4-fluorophenyl)methyl]-1-(1,5-dimethylpyrazol-4-yl)ethanamine
CID 81146308
2,6-dimethoxy-4-[[[(1R)-1-phenylethyl]amino]methyl]phenol
CID 7154257
N-[(2,5-difluorophenyl)methyl]-1-(1,5-dimethylpyrazol-4-yl)ethanamine
CID 19624853
3-[[1-(1,5-dimethylpyrazol-4-yl)ethylamino]methyl]benzonitrile
CID 43435446
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-methoxy-2-methylpropan-1-amine
CID 115970779

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(1,5-dimethylpyrazol-4-yl)ethylamino]methyl]-2,6-dimethoxyphenol?
The IUPAC name of 4-[[1-(1,5-dimethylpyrazol-4-yl)ethylamino]methyl]-2,6-dimethoxyphenol (CID 19625137) is 4-[[1-(1,5-dimethylpyrazol-4-yl)ethylamino]methyl]-2,6-dimethoxyphenol.
What is the SMILES notation for 4-[[1-(1,5-dimethylpyrazol-4-yl)ethylamino]methyl]-2,6-dimethoxyphenol?
The canonical SMILES for 4-[[1-(1,5-dimethylpyrazol-4-yl)ethylamino]methyl]-2,6-dimethoxyphenol is COc1cc(CNC(C)c2cnn(C)c2C)cc(OC)c1O.
What is the InChIKey of 4-[[1-(1,5-dimethylpyrazol-4-yl)ethylamino]methyl]-2,6-dimethoxyphenol?
The InChIKey is RJKBWEISZZZBBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-10(13-9-18-19(3)11(13)2)17-8-12-6-14(21-4)16(20)15(7-12)22-5/h6-7,9-10,17,20H,8H2,1-5H3.
What are the key properties of 4-[[1-(1,5-dimethylpyrazol-4-yl)ethylamino]methyl]-2,6-dimethoxyphenol?
4-[[1-(1,5-dimethylpyrazol-4-yl)ethylamino]methyl]-2,6-dimethoxyphenol has a molecular weight of 305.38 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(1,5-dimethylpyrazol-4-yl)ethylamino]methyl]-2,6-dimethoxyphenol is sourced from PubChem (CID 19625137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).