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

C15H21N3O — CID 114799021

IUPAC2-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]-N-methylethanamine
SMILESCNCCc1c(C)nn(-c2cccc(OC)c2)c1C
InChIInChI=1S/C15H21N3O/c1-11-15(8-9-16-3)12(2)18(17-11)13-6-5-7-14(10-13)19-4/h5-7,10,16H,8-9H2,1-4H3
InChIKeySCRRORNZOLYUJI-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.26
Rot. Bonds5

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

2-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]-N-methylethanamine (PubChem CID 114799021) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]-N-methylethanamine
PubChem CID114799021
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name2-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]-N-methylethanamine
SMILESCNCCc1c(C)nn(-c2cccc(OC)c2)c1C
InChIInChI=1S/C15H21N3O/c1-11-15(8-9-16-3)12(2)18(17-11)13-6-5-7-14(10-13)19-4/h5-7,10,16H,8-9H2,1-4H3
InChIKeySCRRORNZOLYUJI-UHFFFAOYSA-N
XLogP2.26
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(3,5-dimethylphenyl)-3,5-dimethylpyrazol-4-yl]-N-methylethanamine
CID 79224846
2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]-N-methylethanamine
CID 79220516
N-(3,4-dimethylphenyl)-3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]propanamide
CID 9039927
2-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]-N-methylpropan-1-amine
CID 114799034
3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]-2-methylpropan-1-amine
CID 114799027
3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]-N-[(1S)-1-phenylethyl]propanamide
CID 9033059
methyl 4-[3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]propanoylamino]benzoate
CID 9068843
[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]propanoate
CID 8732948
2-[5-methoxy-1-(3-methoxyphenyl)-3-methylpyrazol-4-yl]ethanamine
CID 117123912
N-[(4-chlorophenyl)methyl]-3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]propanamide
CID 9042472
[(2R)-1-amino-1-oxopropan-2-yl] 3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]propanoate
CID 8732968
2-[1-(3-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-ethylethanamine
CID 79225621

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]-N-methylethanamine?
The IUPAC name of 2-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]-N-methylethanamine (CID 114799021) is 2-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]-N-methylethanamine.
What is the SMILES notation for 2-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]-N-methylethanamine?
The canonical SMILES for 2-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]-N-methylethanamine is CNCCc1c(C)nn(-c2cccc(OC)c2)c1C.
What is the InChIKey of 2-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]-N-methylethanamine?
The InChIKey is SCRRORNZOLYUJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-11-15(8-9-16-3)12(2)18(17-11)13-6-5-7-14(10-13)19-4/h5-7,10,16H,8-9H2,1-4H3.
What are the key properties of 2-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]-N-methylethanamine?
2-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]-N-methylethanamine has a molecular weight of 259.35 g/mol, XLogP of 2.26, 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-methylethanamine is sourced from PubChem (CID 114799021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).