1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-3-phenylpropan-1-amine

C15H21N3O — CID 114648431

IUPAC1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-3-phenylpropan-1-amine
SMILESCNC(CCc1ccccc1)c1c(OC)cnn1C
InChIInChI=1S/C15H21N3O/c1-16-13(10-9-12-7-5-4-6-8-12)15-14(19-3)11-17-18(15)2/h4-8,11,13,16H,9-10H2,1-3H3
InChIKeyVWXWJBMVEOPKJO-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.32
Rot. Bonds6

About 1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-3-phenylpropan-1-amine

1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-3-phenylpropan-1-amine (PubChem CID 114648431) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-3-phenylpropan-1-amine.

Molecular Properties

Compound Name1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-3-phenylpropan-1-amine
PubChem CID114648431
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-3-phenylpropan-1-amine
SMILESCNC(CCc1ccccc1)c1c(OC)cnn1C
InChIInChI=1S/C15H21N3O/c1-16-13(10-9-12-7-5-4-6-8-12)15-14(19-3)11-17-18(15)2/h4-8,11,13,16H,9-10H2,1-3H3
InChIKeyVWXWJBMVEOPKJO-UHFFFAOYSA-N
XLogP2.32
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylpentan-1-amine
CID 114657456
[1-(4-methoxy-1-methylpyrazol-5-yl)-2-phenylethyl]hydrazine
CID 105195307
4-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylbutan-1-amine
CID 114653379
1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methyl-3-(4-methylphenyl)propan-1-amine
CID 105186575
1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylnonan-1-amine
CID 105046852
1-(4-methoxy-1-methylpyrazol-5-yl)-2-(4-methoxyphenyl)-N-methylethanamine
CID 114648396
1-(4-methoxy-1-methylpyrazol-5-yl)-3-(4-methylphenyl)propan-1-ol
CID 105129939
3-(2,2-difluoroethoxy)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylpropan-1-amine
CID 103149365
2-(2-bromophenyl)sulfanyl-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylethanamine
CID 114656330
1-(4-methoxy-1-methylpyrazol-5-yl)-3-pyridin-4-ylpropan-1-ol
CID 105129886
1-(4-methoxy-1-methylpyrazol-5-yl)-N,2-dimethyl-2-phenylpropan-1-amine
CID 114650498
1-(1-ethyl-4-methoxypyrazol-5-yl)-3-phenylpropan-1-ol
CID 114635552

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-3-phenylpropan-1-amine?
The IUPAC name of 1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-3-phenylpropan-1-amine (CID 114648431) is 1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-3-phenylpropan-1-amine.
What is the SMILES notation for 1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-3-phenylpropan-1-amine?
The canonical SMILES for 1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-3-phenylpropan-1-amine is CNC(CCc1ccccc1)c1c(OC)cnn1C.
What is the InChIKey of 1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-3-phenylpropan-1-amine?
The InChIKey is VWXWJBMVEOPKJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-16-13(10-9-12-7-5-4-6-8-12)15-14(19-3)11-17-18(15)2/h4-8,11,13,16H,9-10H2,1-3H3.
What are the key properties of 1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-3-phenylpropan-1-amine?
1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-3-phenylpropan-1-amine has a molecular weight of 259.35 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-3-phenylpropan-1-amine is sourced from PubChem (CID 114648431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).