2-(3,5-dimethylphenyl)-N-methyl-1-(2-methylpyrazol-3-yl)ethanamine

C15H21N3 — CID 63960987

IUPAC2-(3,5-dimethylphenyl)-N-methyl-1-(2-methylpyrazol-3-yl)ethanamine
SMILESCNC(Cc1cc(C)cc(C)c1)c1ccnn1C
InChIInChI=1S/C15H21N3/c1-11-7-12(2)9-13(8-11)10-14(16-3)15-5-6-17-18(15)4/h5-9,14,16H,10H2,1-4H3
InChIKeyNVXBDOYJRFEPMJ-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.54
Rot. Bonds4

About 2-(3,5-dimethylphenyl)-N-methyl-1-(2-methylpyrazol-3-yl)ethanamine

2-(3,5-dimethylphenyl)-N-methyl-1-(2-methylpyrazol-3-yl)ethanamine (PubChem CID 63960987) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-(3,5-dimethylphenyl)-N-methyl-1-(2-methylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound Name2-(3,5-dimethylphenyl)-N-methyl-1-(2-methylpyrazol-3-yl)ethanamine
PubChem CID63960987
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name2-(3,5-dimethylphenyl)-N-methyl-1-(2-methylpyrazol-3-yl)ethanamine
SMILESCNC(Cc1cc(C)cc(C)c1)c1ccnn1C
InChIInChI=1S/C15H21N3/c1-11-7-12(2)9-13(8-11)10-14(16-3)15-5-6-17-18(15)4/h5-9,14,16H,10H2,1-4H3
InChIKeyNVXBDOYJRFEPMJ-UHFFFAOYSA-N
XLogP2.54
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(3,5-dimethylphenyl)-1-(2-methylpyrazol-3-yl)ethyl]hydrazine
CID 105212589
2-(3,5-difluorophenyl)-N-methyl-1-(2-methylpyrazol-3-yl)ethanamine
CID 63963304
2-(3,5-dimethylphenyl)-1-(2-methylpyrazol-3-yl)ethanamine
CID 63960986
2-(3,5-dimethylphenyl)-N-methyl-1-(3-methyltriazol-4-yl)ethanamine
CID 114687515
N-methyl-1-(2-methylpyrazol-3-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 105159617
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-methyl-1-(2-methylpyrazol-3-yl)ethanamine
CID 105180440
N-methyl-1-(2-methylpyrazol-3-yl)pent-3-yn-1-amine
CID 105112715
1-(4-bromo-1-methylpyrazol-5-yl)-2-(3,5-dimethylphenyl)-N-methylethanamine
CID 114649591
3,3,3-trifluoro-N-methyl-1-(2-methylpyrazol-3-yl)propan-1-amine
CID 63963299
2-(3,5-dimethylphenyl)-N-methyl-1-(4-methyl-2-pyridinyl)ethanamine
CID 63840680
2-(3,4-dimethylphenyl)-N-ethyl-1-(2-methylpyrazol-3-yl)ethanamine
CID 63963537
N-methyl-1-(2-methylpyrazol-3-yl)undecan-1-amine
CID 105138251

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenyl)-N-methyl-1-(2-methylpyrazol-3-yl)ethanamine?
The IUPAC name of 2-(3,5-dimethylphenyl)-N-methyl-1-(2-methylpyrazol-3-yl)ethanamine (CID 63960987) is 2-(3,5-dimethylphenyl)-N-methyl-1-(2-methylpyrazol-3-yl)ethanamine.
What is the SMILES notation for 2-(3,5-dimethylphenyl)-N-methyl-1-(2-methylpyrazol-3-yl)ethanamine?
The canonical SMILES for 2-(3,5-dimethylphenyl)-N-methyl-1-(2-methylpyrazol-3-yl)ethanamine is CNC(Cc1cc(C)cc(C)c1)c1ccnn1C.
What is the InChIKey of 2-(3,5-dimethylphenyl)-N-methyl-1-(2-methylpyrazol-3-yl)ethanamine?
The InChIKey is NVXBDOYJRFEPMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-11-7-12(2)9-13(8-11)10-14(16-3)15-5-6-17-18(15)4/h5-9,14,16H,10H2,1-4H3.
What are the key properties of 2-(3,5-dimethylphenyl)-N-methyl-1-(2-methylpyrazol-3-yl)ethanamine?
2-(3,5-dimethylphenyl)-N-methyl-1-(2-methylpyrazol-3-yl)ethanamine has a molecular weight of 243.35 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenyl)-N-methyl-1-(2-methylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 63960987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).