2-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]-N-methylpropan-1-amine

C16H23N3O — CID 114799034

IUPAC2-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]-N-methylpropan-1-amine
SMILESCNCC(C)c1c(C)nn(-c2cccc(OC)c2)c1C
InChIInChI=1S/C16H23N3O/c1-11(10-17-4)16-12(2)18-19(13(16)3)14-7-6-8-15(9-14)20-5/h6-9,11,17H,10H2,1-5H3
InChIKeyHZAUTUTZOHICNO-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.82
Rot. Bonds5

About 2-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]-N-methylpropan-1-amine

2-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]-N-methylpropan-1-amine (PubChem CID 114799034) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name2-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]-N-methylpropan-1-amine
PubChem CID114799034
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name2-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]-N-methylpropan-1-amine
SMILESCNCC(C)c1c(C)nn(-c2cccc(OC)c2)c1C
InChIInChI=1S/C16H23N3O/c1-11(10-17-4)16-12(2)18-19(13(16)3)14-7-6-8-15(9-14)20-5/h6-9,11,17H,10H2,1-5H3
InChIKeyHZAUTUTZOHICNO-UHFFFAOYSA-N
XLogP2.82
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(4-chloro-3-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-methylpropan-1-amine
CID 79225020
2-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]-N-methylethanamine
CID 114799021
2-[1-(3-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-ethylpropan-1-amine
CID 79225050
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-ethylpropan-1-amine
CID 79220349
3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]-2-methylpropan-1-amine
CID 114799027
[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]propanoate
CID 8732948
N-[[1-(3-methoxyphenyl)-5-methylpyrazol-4-yl]methyl]-2-methylpropan-1-amine
CID 82527947
ethyl (2R)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[(3-methoxybenzoyl)amino]acetate
CID 9194009
3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]-N-[(1S)-1-phenylethyl]propanamide
CID 9033059
2-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-N-methylpropan-1-amine
CID 79225227
1-(3-methoxyphenyl)-6-methyl-3-[(2-methylpropylamino)methyl]pyridazin-4-one
CID 82421034
[(2R)-1-amino-1-oxopropan-2-yl] 3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]propanoate
CID 8732968

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]-N-methylpropan-1-amine?
The IUPAC name of 2-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]-N-methylpropan-1-amine (CID 114799034) is 2-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]-N-methylpropan-1-amine.
What is the SMILES notation for 2-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]-N-methylpropan-1-amine?
The canonical SMILES for 2-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]-N-methylpropan-1-amine is CNCC(C)c1c(C)nn(-c2cccc(OC)c2)c1C.
What is the InChIKey of 2-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]-N-methylpropan-1-amine?
The InChIKey is HZAUTUTZOHICNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-11(10-17-4)16-12(2)18-19(13(16)3)14-7-6-8-15(9-14)20-5/h6-9,11,17H,10H2,1-5H3.
What are the key properties of 2-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]-N-methylpropan-1-amine?
2-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]-N-methylpropan-1-amine has a molecular weight of 273.38 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]-N-methylpropan-1-amine is sourced from PubChem (CID 114799034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).