1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(3-methoxyphenyl)methyl]ethanamine

C16H23N3O — CID 19625240

IUPAC1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(3-methoxyphenyl)methyl]ethanamine
SMILESCCn1cc(C(C)NCc2cccc(OC)c2)c(C)n1
InChIInChI=1S/C16H23N3O/c1-5-19-11-16(13(3)18-19)12(2)17-10-14-7-6-8-15(9-14)20-4/h6-9,11-12,17H,5,10H2,1-4H3
InChIKeyHDVNZQAOZCJUMJ-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.07
Rot. Bonds6

About 1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(3-methoxyphenyl)methyl]ethanamine

1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(3-methoxyphenyl)methyl]ethanamine (PubChem CID 19625240) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(3-methoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(3-methoxyphenyl)methyl]ethanamine
PubChem CID19625240
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(3-methoxyphenyl)methyl]ethanamine
SMILESCCn1cc(C(C)NCc2cccc(OC)c2)c(C)n1
InChIInChI=1S/C16H23N3O/c1-5-19-11-16(13(3)18-19)12(2)17-10-14-7-6-8-15(9-14)20-4/h6-9,11-12,17H,5,10H2,1-4H3
InChIKeyHDVNZQAOZCJUMJ-UHFFFAOYSA-N
XLogP3.07
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 ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-1-(1-ethyl-3-methylpyrazol-4-yl)ethanamine
CID 19625231
N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-3-methoxybenzamide
CID 19462831
1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(2-methoxyphenyl)methyl]ethanamine
CID 19625239
1-(1,3-dimethylpyrazol-4-yl)-N-[2-(3-methoxyphenyl)ethyl]ethanamine
CID 103777717
1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(1-ethylpyrazol-3-yl)methyl]ethanamine
CID 19625650
1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(2-fluorophenyl)methyl]ethanamine
CID 19625235
1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine
CID 19626689
N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19509735
1-(2,3-difluorophenyl)-N-[(3-methoxyphenyl)methyl]ethanamine
CID 103878320
N-[(3-methoxyphenyl)methyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 43221152
1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 19625661
1-(5-ethylthiophen-2-yl)-N-[(3-methoxyphenyl)methyl]ethanamine
CID 61336092

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(3-methoxyphenyl)methyl]ethanamine?
The IUPAC name of 1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(3-methoxyphenyl)methyl]ethanamine (CID 19625240) is 1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(3-methoxyphenyl)methyl]ethanamine.
What is the SMILES notation for 1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(3-methoxyphenyl)methyl]ethanamine?
The canonical SMILES for 1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(3-methoxyphenyl)methyl]ethanamine is CCn1cc(C(C)NCc2cccc(OC)c2)c(C)n1.
What is the InChIKey of 1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(3-methoxyphenyl)methyl]ethanamine?
The InChIKey is HDVNZQAOZCJUMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-5-19-11-16(13(3)18-19)12(2)17-10-14-7-6-8-15(9-14)20-4/h6-9,11-12,17H,5,10H2,1-4H3.
What are the key properties of 1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(3-methoxyphenyl)methyl]ethanamine?
1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(3-methoxyphenyl)methyl]ethanamine has a molecular weight of 273.38 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(3-methoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 19625240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).