1-(1,3-dimethylpyrazol-4-yl)-N-[2-(3-methoxyphenyl)ethyl]ethanamine

C16H23N3O — CID 103777717

IUPAC1-(1,3-dimethylpyrazol-4-yl)-N-[2-(3-methoxyphenyl)ethyl]ethanamine
SMILESCOc1cccc(CCNC(C)c2cn(C)nc2C)c1
InChIInChI=1S/C16H23N3O/c1-12(16-11-19(3)18-13(16)2)17-9-8-14-6-5-7-15(10-14)20-4/h5-7,10-12,17H,8-9H2,1-4H3
InChIKeyMXUZYSDSPLTDHM-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.63
Rot. Bonds6

About 1-(1,3-dimethylpyrazol-4-yl)-N-[2-(3-methoxyphenyl)ethyl]ethanamine

1-(1,3-dimethylpyrazol-4-yl)-N-[2-(3-methoxyphenyl)ethyl]ethanamine (PubChem CID 103777717) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-(1,3-dimethylpyrazol-4-yl)-N-[2-(3-methoxyphenyl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(1,3-dimethylpyrazol-4-yl)-N-[2-(3-methoxyphenyl)ethyl]ethanamine
PubChem CID103777717
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name1-(1,3-dimethylpyrazol-4-yl)-N-[2-(3-methoxyphenyl)ethyl]ethanamine
SMILESCOc1cccc(CCNC(C)c2cn(C)nc2C)c1
InChIInChI=1S/C16H23N3O/c1-12(16-11-19(3)18-13(16)2)17-9-8-14-6-5-7-15(10-14)20-4/h5-7,10-12,17H,8-9H2,1-4H3
InChIKeyMXUZYSDSPLTDHM-UHFFFAOYSA-N
XLogP2.63
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,3-dimethylpyrazol-4-yl)-N-(2-pyridin-4-ylethyl)ethanamine
CID 65197319
1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(3-methoxyphenyl)methyl]ethanamine
CID 19625240
1-(1,3-dimethylpyrazol-4-yl)-N-[2-(4-fluorophenyl)ethyl]ethanamine
CID 65191944
1-(1,3-dimethylpyrazol-4-yl)-1-(3-methoxyphenyl)-N-methylmethanamine
CID 102802975
N-[2-(3-methoxyphenyl)ethyl]-1-(5-methylfuran-2-yl)ethanamine
CID 103777751
N-[2-(3-methoxyphenyl)ethyl]-3,3-dimethylbutan-2-amine
CID 126843908
1-(1,3-dimethylpyrazol-4-yl)-N-[2-(2-methylphenyl)ethyl]ethanamine
CID 79763765
N-[2-(3-methoxyphenyl)ethyl]-1-(3-methylthiophen-2-yl)ethanamine
CID 103777714
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(3-methoxyphenyl)methanamine
CID 19618925
1-(1,3-dimethylpyrazol-4-yl)-N-(2-pyridin-2-ylethyl)ethanamine
CID 65192001
1,1-dimethoxy-N-[2-(3-methoxyphenyl)ethyl]propan-2-amine
CID 107850250
(1R)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 83088565

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)-N-[2-(3-methoxyphenyl)ethyl]ethanamine?
The IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)-N-[2-(3-methoxyphenyl)ethyl]ethanamine (CID 103777717) is 1-(1,3-dimethylpyrazol-4-yl)-N-[2-(3-methoxyphenyl)ethyl]ethanamine.
What is the SMILES notation for 1-(1,3-dimethylpyrazol-4-yl)-N-[2-(3-methoxyphenyl)ethyl]ethanamine?
The canonical SMILES for 1-(1,3-dimethylpyrazol-4-yl)-N-[2-(3-methoxyphenyl)ethyl]ethanamine is COc1cccc(CCNC(C)c2cn(C)nc2C)c1.
What is the InChIKey of 1-(1,3-dimethylpyrazol-4-yl)-N-[2-(3-methoxyphenyl)ethyl]ethanamine?
The InChIKey is MXUZYSDSPLTDHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-12(16-11-19(3)18-13(16)2)17-9-8-14-6-5-7-15(10-14)20-4/h5-7,10-12,17H,8-9H2,1-4H3.
What are the key properties of 1-(1,3-dimethylpyrazol-4-yl)-N-[2-(3-methoxyphenyl)ethyl]ethanamine?
1-(1,3-dimethylpyrazol-4-yl)-N-[2-(3-methoxyphenyl)ethyl]ethanamine has a molecular weight of 273.38 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethylpyrazol-4-yl)-N-[2-(3-methoxyphenyl)ethyl]ethanamine is sourced from PubChem (CID 103777717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).