1-(1-ethyl-4-methoxypyrazol-5-yl)-2-(2-methoxyphenyl)-N-methylethanamine

C16H23N3O2 — CID 114648328

IUPAC1-(1-ethyl-4-methoxypyrazol-5-yl)-2-(2-methoxyphenyl)-N-methylethanamine
SMILESCCn1ncc(OC)c1C(Cc1ccccc1OC)NC
InChIInChI=1S/C16H23N3O2/c1-5-19-16(15(21-4)11-18-19)13(17-2)10-12-8-6-7-9-14(12)20-3/h6-9,11,13,17H,5,10H2,1-4H3
InChIKeyMNKVCDRPJOQSIH-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.42
Rot. Bonds7

About 1-(1-ethyl-4-methoxypyrazol-5-yl)-2-(2-methoxyphenyl)-N-methylethanamine

1-(1-ethyl-4-methoxypyrazol-5-yl)-2-(2-methoxyphenyl)-N-methylethanamine (PubChem CID 114648328) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-(1-ethyl-4-methoxypyrazol-5-yl)-2-(2-methoxyphenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(1-ethyl-4-methoxypyrazol-5-yl)-2-(2-methoxyphenyl)-N-methylethanamine
PubChem CID114648328
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name1-(1-ethyl-4-methoxypyrazol-5-yl)-2-(2-methoxyphenyl)-N-methylethanamine
SMILESCCn1ncc(OC)c1C(Cc1ccccc1OC)NC
InChIInChI=1S/C16H23N3O2/c1-5-19-16(15(21-4)11-18-19)13(17-2)10-12-8-6-7-9-14(12)20-3/h6-9,11,13,17H,5,10H2,1-4H3
InChIKeyMNKVCDRPJOQSIH-UHFFFAOYSA-N
XLogP2.42
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 ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-bromophenyl)-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylethanamine
CID 114650079
1-(1-ethyl-4-methoxypyrazol-5-yl)-2-(4-fluorophenyl)-N-methylethanamine
CID 114647418
2-(2,6-dichlorophenyl)-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylethanamine
CID 114649074
1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methyl-2-phenoxyethanamine
CID 114649623
1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methyl-2-methylsulfanylethanamine
CID 114649759
1-(1-ethyl-4-methoxypyrazol-5-yl)-3-methoxy-N-methylpropan-1-amine
CID 114648521
1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methyl-3-(4-methylphenyl)propan-1-amine
CID 105186575
1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methyldecan-1-amine
CID 105047878
1-(1-ethyl-4-methoxypyrazol-5-yl)-3-(furan-2-yl)-N-methylpropan-1-amine
CID 105186645
1-(1-ethyl-4-methoxypyrazol-5-yl)-2-(2-methylphenyl)ethanol
CID 114643227
[1-(2-ethylpyrazol-3-yl)-2-(2-methoxyphenyl)ethyl]hydrazine
CID 105205035
1-(4-chloro-1-ethylpyrazol-5-yl)-2-(2-fluorophenyl)-N-methylethanamine
CID 114648608

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-4-methoxypyrazol-5-yl)-2-(2-methoxyphenyl)-N-methylethanamine?
The IUPAC name of 1-(1-ethyl-4-methoxypyrazol-5-yl)-2-(2-methoxyphenyl)-N-methylethanamine (CID 114648328) is 1-(1-ethyl-4-methoxypyrazol-5-yl)-2-(2-methoxyphenyl)-N-methylethanamine.
What is the SMILES notation for 1-(1-ethyl-4-methoxypyrazol-5-yl)-2-(2-methoxyphenyl)-N-methylethanamine?
The canonical SMILES for 1-(1-ethyl-4-methoxypyrazol-5-yl)-2-(2-methoxyphenyl)-N-methylethanamine is CCn1ncc(OC)c1C(Cc1ccccc1OC)NC.
What is the InChIKey of 1-(1-ethyl-4-methoxypyrazol-5-yl)-2-(2-methoxyphenyl)-N-methylethanamine?
The InChIKey is MNKVCDRPJOQSIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-5-19-16(15(21-4)11-18-19)13(17-2)10-12-8-6-7-9-14(12)20-3/h6-9,11,13,17H,5,10H2,1-4H3.
What are the key properties of 1-(1-ethyl-4-methoxypyrazol-5-yl)-2-(2-methoxyphenyl)-N-methylethanamine?
1-(1-ethyl-4-methoxypyrazol-5-yl)-2-(2-methoxyphenyl)-N-methylethanamine has a molecular weight of 289.38 g/mol, XLogP of 2.42, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyl-4-methoxypyrazol-5-yl)-2-(2-methoxyphenyl)-N-methylethanamine is sourced from PubChem (CID 114648328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).