1-(2,5-dimethoxyphenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine

C15H21N3O2 — CID 103031048

IUPAC1-(2,5-dimethoxyphenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine
SMILESCOc1ccc(OC)c(C(N)CCc2ccnn2C)c1
InChIInChI=1S/C15H21N3O2/c1-18-11(8-9-17-18)4-6-14(16)13-10-12(19-2)5-7-15(13)20-3/h5,7-10,14H,4,6,16H2,1-3H3
InChIKeyFDXDCRAPQSUHQM-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.07
Rot. Bonds6

About 1-(2,5-dimethoxyphenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine

1-(2,5-dimethoxyphenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine (PubChem CID 103031048) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine
PubChem CID103031048
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name1-(2,5-dimethoxyphenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine
SMILESCOc1ccc(OC)c(C(N)CCc2ccnn2C)c1
InChIInChI=1S/C15H21N3O2/c1-18-11(8-9-17-18)4-6-14(16)13-10-12(19-2)5-7-15(13)20-3/h5,7-10,14H,4,6,16H2,1-3H3
InChIKeyFDXDCRAPQSUHQM-UHFFFAOYSA-N
XLogP2.07
TPSA62.30 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 ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,3-dimethoxyphenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103030726
1-(4-methoxyphenyl)-5-(2-methylpyrazol-3-yl)pentan-3-amine
CID 103030537
1-(2,4-dimethoxyphenyl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103030629
1-(2,5-dimethoxyphenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 43722056
1-(2,5-dimethoxyphenyl)-3-methoxypropan-1-amine
CID 62801010
1-(2,5-dimethoxyphenyl)-2-[(2-methylpyrazol-3-yl)methylamino]ethanol
CID 63001761
1-(2,5-dimethoxyphenyl)butan-1-amine;hydrochloride
CID 86262898
1-(4-bromo-2-methylphenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103030747
1-(2,5-dibromophenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103030513
(1S)-1-(2,5-dimethoxyphenyl)pentan-1-amine;hydrochloride
CID 171219764
(4R)-4-amino-4-(2,5-dimethoxyphenyl)butan-1-ol;hydrochloride
CID 171200259
1-(3,4-dimethylphenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103031043

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine (CID 103031048) is 1-(2,5-dimethoxyphenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine is COc1ccc(OC)c(C(N)CCc2ccnn2C)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine?
The InChIKey is FDXDCRAPQSUHQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-18-11(8-9-17-18)4-6-14(16)13-10-12(19-2)5-7-15(13)20-3/h5,7-10,14H,4,6,16H2,1-3H3.
What are the key properties of 1-(2,5-dimethoxyphenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine?
1-(2,5-dimethoxyphenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine has a molecular weight of 275.35 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine is sourced from PubChem (CID 103031048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).