1-(1-methylpyrazol-4-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine

C16H23N3O3 — CID 119138531

IUPAC1-(1-methylpyrazol-4-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine
SMILESCOc1cc(CNC(C)c2cnn(C)c2)cc(OC)c1OC
InChIInChI=1S/C16H23N3O3/c1-11(13-9-18-19(2)10-13)17-8-12-6-14(20-3)16(22-5)15(7-12)21-4/h6-7,9-11,17H,8H2,1-5H3
InChIKeyYBPXYCCMQOBIAA-UHFFFAOYSA-N
MW305.38 g/mol
LogP2.30
Rot. Bonds7

About 1-(1-methylpyrazol-4-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine

1-(1-methylpyrazol-4-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine (PubChem CID 119138531) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is 1-(1-methylpyrazol-4-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(1-methylpyrazol-4-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine
PubChem CID119138531
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name1-(1-methylpyrazol-4-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine
SMILESCOc1cc(CNC(C)c2cnn(C)c2)cc(OC)c1OC
InChIInChI=1S/C16H23N3O3/c1-11(13-9-18-19(2)10-13)17-8-12-6-14(20-3)16(22-5)15(7-12)21-4/h6-7,9-11,17H,8H2,1-5H3
InChIKeyYBPXYCCMQOBIAA-UHFFFAOYSA-N
XLogP2.30
TPSA57.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-fluoro-4-methoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
CID 43225826
(1S)-1-(4-ethylphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine
CID 95901161
(1R)-N-[(4-methoxy-3,5-dimethylphenyl)methyl]-1-(3,4,5-trimethoxyphenyl)ethanamine
CID 95180732
N-[(4-methoxy-3,5-dimethylphenyl)methyl]-1-(3,4,5-trimethoxyphenyl)ethanamine
CID 47616721
N-ethyl-1-(1-methylpyrazol-4-yl)ethanamine
CID 43492401
1-(1-methylpyrazol-4-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 62881310
1-(3-methoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
CID 60945948
N-[(4-methoxyphenyl)methyl]-1-(3,4,5-trimethoxyphenyl)ethanamine
CID 119126875
(1S)-N-[[2-[(2R)-butan-2-yl]oxy-4-methylphenyl]methyl]-1-(1-methylpyrazol-4-yl)ethanamine
CID 97323663
(1R)-1-(2-bromophenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine
CID 30615952
N-(furan-3-ylmethyl)-1-(3,4,5-trimethoxyphenyl)ethanamine
CID 115607208
1-pyridin-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine
CID 47008253

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrazol-4-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine?
The IUPAC name of 1-(1-methylpyrazol-4-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine (CID 119138531) is 1-(1-methylpyrazol-4-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine.
What is the SMILES notation for 1-(1-methylpyrazol-4-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine?
The canonical SMILES for 1-(1-methylpyrazol-4-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine is COc1cc(CNC(C)c2cnn(C)c2)cc(OC)c1OC.
What is the InChIKey of 1-(1-methylpyrazol-4-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine?
The InChIKey is YBPXYCCMQOBIAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-11(13-9-18-19(2)10-13)17-8-12-6-14(20-3)16(22-5)15(7-12)21-4/h6-7,9-11,17H,8H2,1-5H3.
What are the key properties of 1-(1-methylpyrazol-4-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine?
1-(1-methylpyrazol-4-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine has a molecular weight of 305.38 g/mol, XLogP of 2.30, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrazol-4-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 119138531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).