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

C15H21N3O2 — CID 103030726

IUPAC1-(2,3-dimethoxyphenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine
SMILESCOc1cccc(C(N)CCc2ccnn2C)c1OC
InChIInChI=1S/C15H21N3O2/c1-18-11(9-10-17-18)7-8-13(16)12-5-4-6-14(19-2)15(12)20-3/h4-6,9-10,13H,7-8,16H2,1-3H3
InChIKeyMVTCUWALEROVSX-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.07
Rot. Bonds6

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

1-(2,3-dimethoxyphenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine (PubChem CID 103030726) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-(2,3-dimethoxyphenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine.

Molecular Properties

Compound Name1-(2,3-dimethoxyphenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine
PubChem CID103030726
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name1-(2,3-dimethoxyphenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine
SMILESCOc1cccc(C(N)CCc2ccnn2C)c1OC
InChIInChI=1S/C15H21N3O2/c1-18-11(9-10-17-18)7-8-13(16)12-5-4-6-14(19-2)15(12)20-3/h4-6,9-10,13H,7-8,16H2,1-3H3
InChIKeyMVTCUWALEROVSX-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-(2,5-dimethoxyphenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103031048
1-(2-chloro-3-fluorophenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103030836
1-(3-chloro-2-fluorophenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103010352
1-(2-chloro-3,4-dimethoxyphenyl)-3-(2-methylpyrazol-3-yl)propan-1-ol
CID 103006173
(1S)-1-(2,3-dimethoxyphenyl)ethane-1,2-diamine
CID 55278892
(2,3-dimethoxyphenyl)-(2-methylpyrazol-3-yl)methanol
CID 63961353
(2S)-2-amino-2-(2,3-dimethoxyphenyl)ethanol
CID 55278202
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
1-(2,3-dimethoxyphenyl)-4-methoxy-4-methylpentan-1-amine
CID 103031814
1-(2,3-dimethoxyphenyl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine
CID 19625007
3-(2-methylpyrazol-3-yl)-1-pyrazin-2-ylpropan-1-amine
CID 103009015

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethoxyphenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine?
The IUPAC name of 1-(2,3-dimethoxyphenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine (CID 103030726) is 1-(2,3-dimethoxyphenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine.
What is the SMILES notation for 1-(2,3-dimethoxyphenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine?
The canonical SMILES for 1-(2,3-dimethoxyphenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine is COc1cccc(C(N)CCc2ccnn2C)c1OC.
What is the InChIKey of 1-(2,3-dimethoxyphenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine?
The InChIKey is MVTCUWALEROVSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-18-11(9-10-17-18)7-8-13(16)12-5-4-6-14(19-2)15(12)20-3/h4-6,9-10,13H,7-8,16H2,1-3H3.
What are the key properties of 1-(2,3-dimethoxyphenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine?
1-(2,3-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-(2,3-dimethoxyphenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine is sourced from PubChem (CID 103030726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).