1-(4-methoxy-1-methylpyrazol-5-yl)-2-(4-methoxyphenyl)-N-methylethanamine

C15H21N3O2 — CID 114648396

IUPAC1-(4-methoxy-1-methylpyrazol-5-yl)-2-(4-methoxyphenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(OC)cc1)c1c(OC)cnn1C
InChIInChI=1S/C15H21N3O2/c1-16-13(15-14(20-4)10-17-18(15)2)9-11-5-7-12(19-3)8-6-11/h5-8,10,13,16H,9H2,1-4H3
InChIKeyWKGDZWHNZWPMID-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.94
Rot. Bonds6

About 1-(4-methoxy-1-methylpyrazol-5-yl)-2-(4-methoxyphenyl)-N-methylethanamine

1-(4-methoxy-1-methylpyrazol-5-yl)-2-(4-methoxyphenyl)-N-methylethanamine (PubChem CID 114648396) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-(4-methoxy-1-methylpyrazol-5-yl)-2-(4-methoxyphenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(4-methoxy-1-methylpyrazol-5-yl)-2-(4-methoxyphenyl)-N-methylethanamine
PubChem CID114648396
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name1-(4-methoxy-1-methylpyrazol-5-yl)-2-(4-methoxyphenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(OC)cc1)c1c(OC)cnn1C
InChIInChI=1S/C15H21N3O2/c1-16-13(15-14(20-4)10-17-18(15)2)9-11-5-7-12(19-3)8-6-11/h5-8,10,13,16H,9H2,1-4H3
InChIKeyWKGDZWHNZWPMID-UHFFFAOYSA-N
XLogP1.94
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-chloro-1-methylpyrazol-5-yl)-2-(4-methoxyphenyl)-N-methylethanamine
CID 114648390
[1-(4-methoxy-1-methylpyrazol-5-yl)-2-phenylethyl]hydrazine
CID 105195307
1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-3-phenylpropan-1-amine
CID 114648431
2-(4-chlorophenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylethanamine
CID 114647361
1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylpentan-1-amine
CID 114657456
1-(1-ethyl-4-methoxypyrazol-5-yl)-2-(4-fluorophenyl)-N-methylethanamine
CID 114647418
1-(4-chloro-1-methylpyrazol-5-yl)-N-ethyl-2-(4-methoxyphenyl)ethanamine
CID 114648398
N-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)-2-(3-methoxyphenyl)ethanamine
CID 114648370
4-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylbutan-1-amine
CID 114653379
1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylnonan-1-amine
CID 105046852
1-(4-bromo-1-methylpyrazol-5-yl)-2-(3-methoxyphenyl)-N-methylethanamine
CID 114648364
1-(1-ethyl-4-methoxypyrazol-5-yl)-2-(4-methoxyphenyl)ethanol
CID 114643108

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-1-methylpyrazol-5-yl)-2-(4-methoxyphenyl)-N-methylethanamine?
The IUPAC name of 1-(4-methoxy-1-methylpyrazol-5-yl)-2-(4-methoxyphenyl)-N-methylethanamine (CID 114648396) is 1-(4-methoxy-1-methylpyrazol-5-yl)-2-(4-methoxyphenyl)-N-methylethanamine.
What is the SMILES notation for 1-(4-methoxy-1-methylpyrazol-5-yl)-2-(4-methoxyphenyl)-N-methylethanamine?
The canonical SMILES for 1-(4-methoxy-1-methylpyrazol-5-yl)-2-(4-methoxyphenyl)-N-methylethanamine is CNC(Cc1ccc(OC)cc1)c1c(OC)cnn1C.
What is the InChIKey of 1-(4-methoxy-1-methylpyrazol-5-yl)-2-(4-methoxyphenyl)-N-methylethanamine?
The InChIKey is WKGDZWHNZWPMID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-16-13(15-14(20-4)10-17-18(15)2)9-11-5-7-12(19-3)8-6-11/h5-8,10,13,16H,9H2,1-4H3.
What are the key properties of 1-(4-methoxy-1-methylpyrazol-5-yl)-2-(4-methoxyphenyl)-N-methylethanamine?
1-(4-methoxy-1-methylpyrazol-5-yl)-2-(4-methoxyphenyl)-N-methylethanamine has a molecular weight of 275.35 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-1-methylpyrazol-5-yl)-2-(4-methoxyphenyl)-N-methylethanamine is sourced from PubChem (CID 114648396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).