1-(4-methoxy-3-methylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-amine

C15H21N3O — CID 103011839

IUPAC1-(4-methoxy-3-methylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-amine
SMILESCOc1ccc(C(N)CCc2cnn(C)c2)cc1C
InChIInChI=1S/C15H21N3O/c1-11-8-13(5-7-15(11)19-3)14(16)6-4-12-9-17-18(2)10-12/h5,7-10,14H,4,6,16H2,1-3H3
InChIKeyIUIQZTXSWXOQRJ-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.37
Rot. Bonds5

About 1-(4-methoxy-3-methylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-amine

1-(4-methoxy-3-methylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-amine (PubChem CID 103011839) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 1-(4-methoxy-3-methylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-amine.

Molecular Properties

Compound Name1-(4-methoxy-3-methylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-amine
PubChem CID103011839
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name1-(4-methoxy-3-methylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-amine
SMILESCOc1ccc(C(N)CCc2cnn(C)c2)cc1C
InChIInChI=1S/C15H21N3O/c1-11-8-13(5-7-15(11)19-3)14(16)6-4-12-9-17-18(2)10-12/h5,7-10,14H,4,6,16H2,1-3H3
InChIKeyIUIQZTXSWXOQRJ-UHFFFAOYSA-N
XLogP2.37
TPSA53.07 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 ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-fluoro-3-methoxyphenyl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103029968
1-(4-methoxyphenyl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103008702
3-(1-methylpyrazol-4-yl)-1-(4-methylsulfanylphenyl)propan-1-amine
CID 103030188
(1R)-1-[3-methoxy-4-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]ethanamine
CID 102999803
1-(2,5-dimethylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103030043
(3R)-3-amino-3-(4-methoxy-3-methylphenyl)propan-1-ol
CID 55265729
[(4-methoxy-3-methylphenyl)-(1-methylpyrazol-4-yl)methyl]hydrazine
CID 105258318
(1R)-1-[3-methyl-4-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]ethanol
CID 103003602
3-(4-methoxyphenyl)-1-(1-methylpyrazol-4-yl)propan-1-amine
CID 43124177
(1S)-1-(4-methoxy-3-methylphenyl)ethane-1,2-diamine
CID 55278362
1-(4-methoxy-3-methylphenyl)decan-1-amine
CID 65448006
(4S)-4-amino-4-(4-methoxy-3-methylphenyl)butan-1-ol;hydrochloride
CID 171233352

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-3-methylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-amine?
The IUPAC name of 1-(4-methoxy-3-methylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-amine (CID 103011839) is 1-(4-methoxy-3-methylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-amine.
What is the SMILES notation for 1-(4-methoxy-3-methylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-amine?
The canonical SMILES for 1-(4-methoxy-3-methylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-amine is COc1ccc(C(N)CCc2cnn(C)c2)cc1C.
What is the InChIKey of 1-(4-methoxy-3-methylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-amine?
The InChIKey is IUIQZTXSWXOQRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-11-8-13(5-7-15(11)19-3)14(16)6-4-12-9-17-18(2)10-12/h5,7-10,14H,4,6,16H2,1-3H3.
What are the key properties of 1-(4-methoxy-3-methylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-amine?
1-(4-methoxy-3-methylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-amine has a molecular weight of 259.35 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-3-methylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-amine is sourced from PubChem (CID 103011839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).