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

C16H23N3 — CID 103030633

IUPAC1-(2,4-dimethylphenyl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine
SMILESCNC(CCc1ccnn1C)c1ccc(C)cc1C
InChIInChI=1S/C16H23N3/c1-12-5-7-15(13(2)11-12)16(17-3)8-6-14-9-10-18-19(14)4/h5,7,9-11,16-17H,6,8H2,1-4H3
InChIKeyGTFKUCQWARPSFG-UHFFFAOYSA-N
MW257.38 g/mol
LogP2.93
Rot. Bonds5

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

1-(2,4-dimethylphenyl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine (PubChem CID 103030633) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine
PubChem CID103030633
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name1-(2,4-dimethylphenyl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine
SMILESCNC(CCc1ccnn1C)c1ccc(C)cc1C
InChIInChI=1S/C16H23N3/c1-12-5-7-15(13(2)11-12)16(17-3)8-6-14-9-10-18-19(14)4/h5,7,9-11,16-17H,6,8H2,1-4H3
InChIKeyGTFKUCQWARPSFG-UHFFFAOYSA-N
XLogP2.93
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(2-methylphenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103009289
N-ethyl-1-(2-fluoro-4-methylphenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103030390
1-(2,4-dimethoxyphenyl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103030629
1-(2,4-dimethylphenyl)-N-methyl-1-(2-methylpyrazol-3-yl)methanamine
CID 115858423
N-methyl-3-(2-methylpyrazol-3-yl)-1-(2,4,5-trimethylfuran-3-yl)propan-1-amine
CID 103030866
N-methyl-3-(2-methylpyrazol-3-yl)-1-(3,4,5-trifluorophenyl)propan-1-amine
CID 103009605
1-(furan-3-yl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103010290
1-(3,4-difluorophenyl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103009150
1-(3-methoxy-4-pyridinyl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103030781
2,5-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline
CID 103000748
1-(2,4-dimethylphenyl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine
CID 43482663
1-(4-bromo-2-methylphenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103030747

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine?
The IUPAC name of 1-(2,4-dimethylphenyl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine (CID 103030633) is 1-(2,4-dimethylphenyl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine?
The canonical SMILES for 1-(2,4-dimethylphenyl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine is CNC(CCc1ccnn1C)c1ccc(C)cc1C.
What is the InChIKey of 1-(2,4-dimethylphenyl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine?
The InChIKey is GTFKUCQWARPSFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-12-5-7-15(13(2)11-12)16(17-3)8-6-14-9-10-18-19(14)4/h5,7,9-11,16-17H,6,8H2,1-4H3.
What are the key properties of 1-(2,4-dimethylphenyl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine?
1-(2,4-dimethylphenyl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine has a molecular weight of 257.38 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine is sourced from PubChem (CID 103030633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).