N-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)-2-(3-methoxyphenyl)ethanamine

C16H23N3O2 — CID 114648370

IUPACN-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)-2-(3-methoxyphenyl)ethanamine
SMILESCCNC(Cc1cccc(OC)c1)c1c(OC)cnn1C
InChIInChI=1S/C16H23N3O2/c1-5-17-14(16-15(21-4)11-18-19(16)2)10-12-7-6-8-13(9-12)20-3/h6-9,11,14,17H,5,10H2,1-4H3
InChIKeyKPSZATPHXBGFRQ-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.33
Rot. Bonds7

About N-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)-2-(3-methoxyphenyl)ethanamine

N-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)-2-(3-methoxyphenyl)ethanamine (PubChem CID 114648370) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)-2-(3-methoxyphenyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)-2-(3-methoxyphenyl)ethanamine
PubChem CID114648370
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)-2-(3-methoxyphenyl)ethanamine
SMILESCCNC(Cc1cccc(OC)c1)c1c(OC)cnn1C
InChIInChI=1S/C16H23N3O2/c1-5-17-14(16-15(21-4)11-18-19(16)2)10-12-7-6-8-13(9-12)20-3/h6-9,11,14,17H,5,10H2,1-4H3
InChIKeyKPSZATPHXBGFRQ-UHFFFAOYSA-N
XLogP2.33
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(4-methoxy-1-methylpyrazol-5-yl)-2-pyridin-3-ylethyl]propan-1-amine
CID 114649519
N-ethyl-2-(2-fluorophenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)ethanamine
CID 114648626
1-(4-bromo-1-methylpyrazol-5-yl)-2-(3-methoxyphenyl)-N-methylethanamine
CID 114648364
[1-(4-methoxy-1-methylpyrazol-5-yl)-2-phenylethyl]hydrazine
CID 105195307
1-(4-methoxy-1-methylpyrazol-5-yl)-2-(4-methoxyphenyl)-N-methylethanamine
CID 114648396
1-(4-chloro-1-methylpyrazol-5-yl)-N-ethyl-2-(4-methoxyphenyl)ethanamine
CID 114648398
1-(2,6-dimethyl-4-pyridinyl)-N-ethyl-2-(3-methoxyphenyl)ethanamine
CID 107503839
N-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)hexan-1-amine
CID 105046940
N-ethyl-2-(3-methoxyphenyl)-1-pyridin-2-ylethanamine
CID 62600523
2-(3-bromophenyl)-1-(4-chloro-1-methylpyrazol-5-yl)-N-ethylethanamine
CID 114648016
N-ethyl-2-(2-fluorophenyl)sulfanyl-1-(4-methoxy-1-methylpyrazol-5-yl)ethanamine
CID 114656065
N-ethyl-1-(3-methoxyphenyl)-2-(3-methylphenyl)ethanamine
CID 60797782

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)-2-(3-methoxyphenyl)ethanamine?
The IUPAC name of N-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)-2-(3-methoxyphenyl)ethanamine (CID 114648370) is N-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)-2-(3-methoxyphenyl)ethanamine.
What is the SMILES notation for N-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)-2-(3-methoxyphenyl)ethanamine?
The canonical SMILES for N-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)-2-(3-methoxyphenyl)ethanamine is CCNC(Cc1cccc(OC)c1)c1c(OC)cnn1C.
What is the InChIKey of N-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)-2-(3-methoxyphenyl)ethanamine?
The InChIKey is KPSZATPHXBGFRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-5-17-14(16-15(21-4)11-18-19(16)2)10-12-7-6-8-13(9-12)20-3/h6-9,11,14,17H,5,10H2,1-4H3.
What are the key properties of N-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)-2-(3-methoxyphenyl)ethanamine?
N-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)-2-(3-methoxyphenyl)ethanamine has a molecular weight of 289.38 g/mol, XLogP of 2.33, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)-2-(3-methoxyphenyl)ethanamine is sourced from PubChem (CID 114648370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).