1-(2,4-dimethoxyphenyl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine

C16H23N3O2 — CID 103030629

IUPAC1-(2,4-dimethoxyphenyl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine
SMILESCNC(CCc1ccnn1C)c1ccc(OC)cc1OC
InChIInChI=1S/C16H23N3O2/c1-17-15(8-5-12-9-10-18-19(12)2)14-7-6-13(20-3)11-16(14)21-4/h6-7,9-11,15,17H,5,8H2,1-4H3
InChIKeyGJKMXMLZYMUQTQ-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.33
Rot. Bonds7

About 1-(2,4-dimethoxyphenyl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine

1-(2,4-dimethoxyphenyl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine (PubChem CID 103030629) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine
PubChem CID103030629
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name1-(2,4-dimethoxyphenyl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine
SMILESCNC(CCc1ccnn1C)c1ccc(OC)cc1OC
InChIInChI=1S/C16H23N3O2/c1-17-15(8-5-12-9-10-18-19(12)2)14-7-6-13(20-3)11-16(14)21-4/h6-7,9-11,15,17H,5,8H2,1-4H3
InChIKeyGJKMXMLZYMUQTQ-UHFFFAOYSA-N
XLogP2.33
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-methoxy-4-pyridinyl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103030781
1-(2,4-dimethoxyphenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 43674286
1-(2,5-dimethoxyphenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103031048
1-(2,4-dimethylphenyl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103030633
1-(2,4-dimethoxyphenyl)-N-methyl-3-phenylpropan-1-amine
CID 43483666
4-(2,4-dimethoxyphenyl)-4-(methylamino)butan-1-ol
CID 116952940
N-methyl-1-(2-methylphenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103009289
1-[4-(difluoromethoxy)phenyl]-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103030570
1-(2-methoxy-4-methylphenyl)-3-(2-methylpyrazol-3-yl)propan-1-ol
CID 106790862
1-(4-bromo-2-methoxyphenyl)-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine
CID 105049845
1-(2,4-dimethoxyphenyl)-N-methylheptan-1-amine
CID 114752343
N-methyl-3-(2-methylpyrazol-3-yl)-1-(3,4,5-trifluorophenyl)propan-1-amine
CID 103009605

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine (CID 103030629) is 1-(2,4-dimethoxyphenyl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine is CNC(CCc1ccnn1C)c1ccc(OC)cc1OC.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine?
The InChIKey is GJKMXMLZYMUQTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-17-15(8-5-12-9-10-18-19(12)2)14-7-6-13(20-3)11-16(14)21-4/h6-7,9-11,15,17H,5,8H2,1-4H3.
What are the key properties of 1-(2,4-dimethoxyphenyl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine?
1-(2,4-dimethoxyphenyl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine has a molecular weight of 289.38 g/mol, XLogP of 2.33, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine is sourced from PubChem (CID 103030629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).