N-ethyl-3-(2-ethyl-5-methylpyrazol-3-yl)-2-(2-methylphenyl)propan-1-amine

C18H27N3 — CID 79423700

IUPACN-ethyl-3-(2-ethyl-5-methylpyrazol-3-yl)-2-(2-methylphenyl)propan-1-amine
SMILESCCNCC(Cc1cc(C)nn1CC)c1ccccc1C
InChIInChI=1S/C18H27N3/c1-5-19-13-16(18-10-8-7-9-14(18)3)12-17-11-15(4)20-21(17)6-2/h7-11,16,19H,5-6,12-13H2,1-4H3
InChIKeyXNKKQCFVLLPQBT-UHFFFAOYSA-N
MW285.44 g/mol
LogP3.46
Rot. Bonds7

About N-ethyl-3-(2-ethyl-5-methylpyrazol-3-yl)-2-(2-methylphenyl)propan-1-amine

N-ethyl-3-(2-ethyl-5-methylpyrazol-3-yl)-2-(2-methylphenyl)propan-1-amine (PubChem CID 79423700) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is N-ethyl-3-(2-ethyl-5-methylpyrazol-3-yl)-2-(2-methylphenyl)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-(2-ethyl-5-methylpyrazol-3-yl)-2-(2-methylphenyl)propan-1-amine
PubChem CID79423700
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC NameN-ethyl-3-(2-ethyl-5-methylpyrazol-3-yl)-2-(2-methylphenyl)propan-1-amine
SMILESCCNCC(Cc1cc(C)nn1CC)c1ccccc1C
InChIInChI=1S/C18H27N3/c1-5-19-13-16(18-10-8-7-9-14(18)3)12-17-11-15(4)20-21(17)6-2/h7-11,16,19H,5-6,12-13H2,1-4H3
InChIKeyXNKKQCFVLLPQBT-UHFFFAOYSA-N
XLogP3.46
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-ethyl-5-methylpyrazol-3-yl)-2-(2-methylphenyl)propan-1-amine
CID 79420760
3-(2-ethyl-5-methylpyrazol-3-yl)-2-(2-fluorophenyl)-N-methylpropan-1-amine
CID 79439308
N-ethyl-3-(3-ethyl-1-methylpyrazol-5-yl)-2-(2-methylphenyl)propan-1-amine
CID 79423682
2-(2-chlorophenyl)-3-(2,5-dimethylpyrazol-3-yl)-N-ethylpropan-1-amine
CID 79449422
5-[3-bromo-2-(2-methylphenyl)propyl]-1,3-diethylpyrazole
CID 79418365
3-(3,4-dimethylphenyl)-N-ethyl-2-(2-methylphenyl)propan-1-amine
CID 79423679
3-(2,6-difluorophenyl)-N-ethyl-2-(2-methylphenyl)propan-1-amine
CID 114933691
N-ethyl-3-(4-iodophenyl)-2-(2-methylphenyl)propan-1-amine
CID 79421243
2-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-3-(2-methylphenyl)propan-1-ol
CID 66059722
N-ethyl-3-(3-fluorophenyl)-2-(2-methylphenyl)propan-1-amine
CID 79420915
[2-(2-ethyl-5-methylpyrazol-3-yl)-1-(2-methylsulfanylphenyl)ethyl]hydrazine
CID 105318994
5-[3-chloro-2-(2-methylphenyl)propyl]-1,3-dimethylpyrazole
CID 79418354

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(2-ethyl-5-methylpyrazol-3-yl)-2-(2-methylphenyl)propan-1-amine?
The IUPAC name of N-ethyl-3-(2-ethyl-5-methylpyrazol-3-yl)-2-(2-methylphenyl)propan-1-amine (CID 79423700) is N-ethyl-3-(2-ethyl-5-methylpyrazol-3-yl)-2-(2-methylphenyl)propan-1-amine.
What is the SMILES notation for N-ethyl-3-(2-ethyl-5-methylpyrazol-3-yl)-2-(2-methylphenyl)propan-1-amine?
The canonical SMILES for N-ethyl-3-(2-ethyl-5-methylpyrazol-3-yl)-2-(2-methylphenyl)propan-1-amine is CCNCC(Cc1cc(C)nn1CC)c1ccccc1C.
What is the InChIKey of N-ethyl-3-(2-ethyl-5-methylpyrazol-3-yl)-2-(2-methylphenyl)propan-1-amine?
The InChIKey is XNKKQCFVLLPQBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-5-19-13-16(18-10-8-7-9-14(18)3)12-17-11-15(4)20-21(17)6-2/h7-11,16,19H,5-6,12-13H2,1-4H3.
What are the key properties of N-ethyl-3-(2-ethyl-5-methylpyrazol-3-yl)-2-(2-methylphenyl)propan-1-amine?
N-ethyl-3-(2-ethyl-5-methylpyrazol-3-yl)-2-(2-methylphenyl)propan-1-amine has a molecular weight of 285.44 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(2-ethyl-5-methylpyrazol-3-yl)-2-(2-methylphenyl)propan-1-amine is sourced from PubChem (CID 79423700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).