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

C18H27N3 — CID 79423682

IUPACN-ethyl-3-(3-ethyl-1-methylpyrazol-5-yl)-2-(2-methylphenyl)propan-1-amine
SMILESCCNCC(Cc1cc(CC)nn1C)c1ccccc1C
InChIInChI=1S/C18H27N3/c1-5-16-12-17(21(4)20-16)11-15(13-19-6-2)18-10-8-7-9-14(18)3/h7-10,12,15,19H,5-6,11,13H2,1-4H3
InChIKeyXPBGGYCJFICCDJ-UHFFFAOYSA-N
MW285.44 g/mol
LogP3.23
Rot. Bonds7

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

N-ethyl-3-(3-ethyl-1-methylpyrazol-5-yl)-2-(2-methylphenyl)propan-1-amine (PubChem CID 79423682) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is N-ethyl-3-(3-ethyl-1-methylpyrazol-5-yl)-2-(2-methylphenyl)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-(3-ethyl-1-methylpyrazol-5-yl)-2-(2-methylphenyl)propan-1-amine
PubChem CID79423682
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC NameN-ethyl-3-(3-ethyl-1-methylpyrazol-5-yl)-2-(2-methylphenyl)propan-1-amine
SMILESCCNCC(Cc1cc(CC)nn1C)c1ccccc1C
InChIInChI=1S/C18H27N3/c1-5-16-12-17(21(4)20-16)11-15(13-19-6-2)18-10-8-7-9-14(18)3/h7-10,12,15,19H,5-6,11,13H2,1-4H3
InChIKeyXPBGGYCJFICCDJ-UHFFFAOYSA-N
XLogP3.23
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 ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chlorophenyl)-3-(3-ethyl-1-methylpyrazol-5-yl)-N-methylpropan-1-amine
CID 79448466
2-(4-chlorophenyl)-N-ethyl-3-(3-ethyl-1-methylpyrazol-5-yl)propan-1-amine
CID 79433325
N-ethyl-3-(2-ethyl-5-methylpyrazol-3-yl)-2-(2-methylphenyl)propan-1-amine
CID 79423700
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
[2-(3-ethyl-1-methylpyrazol-5-yl)-1-(2-fluoro-3-methylphenyl)ethyl]hydrazine
CID 105317184
3-(3,4-dimethylphenyl)-N-ethyl-2-(2-methylphenyl)propan-1-amine
CID 79423679
5-[3-chloro-2-(2-methylphenyl)propyl]-1,3-dimethylpyrazole
CID 79418354
2-(3-chlorophenyl)-3-(3-ethyl-1-methylpyrazol-5-yl)-N-methylpropan-1-amine
CID 79443035
[2-(3-ethyl-1-methylpyrazol-5-yl)-1-(2-ethylphenyl)ethyl]hydrazine
CID 105317187
1-[2-(difluoromethoxy)phenyl]-2-(3-ethyl-1-methylpyrazol-5-yl)ethanamine
CID 104999216
3-(2,6-difluorophenyl)-N-ethyl-2-(2-methylphenyl)propan-1-amine
CID 114933691

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(3-ethyl-1-methylpyrazol-5-yl)-2-(2-methylphenyl)propan-1-amine?
The IUPAC name of N-ethyl-3-(3-ethyl-1-methylpyrazol-5-yl)-2-(2-methylphenyl)propan-1-amine (CID 79423682) is N-ethyl-3-(3-ethyl-1-methylpyrazol-5-yl)-2-(2-methylphenyl)propan-1-amine.
What is the SMILES notation for N-ethyl-3-(3-ethyl-1-methylpyrazol-5-yl)-2-(2-methylphenyl)propan-1-amine?
The canonical SMILES for N-ethyl-3-(3-ethyl-1-methylpyrazol-5-yl)-2-(2-methylphenyl)propan-1-amine is CCNCC(Cc1cc(CC)nn1C)c1ccccc1C.
What is the InChIKey of N-ethyl-3-(3-ethyl-1-methylpyrazol-5-yl)-2-(2-methylphenyl)propan-1-amine?
The InChIKey is XPBGGYCJFICCDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-5-16-12-17(21(4)20-16)11-15(13-19-6-2)18-10-8-7-9-14(18)3/h7-10,12,15,19H,5-6,11,13H2,1-4H3.
What are the key properties of N-ethyl-3-(3-ethyl-1-methylpyrazol-5-yl)-2-(2-methylphenyl)propan-1-amine?
N-ethyl-3-(3-ethyl-1-methylpyrazol-5-yl)-2-(2-methylphenyl)propan-1-amine has a molecular weight of 285.44 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(3-ethyl-1-methylpyrazol-5-yl)-2-(2-methylphenyl)propan-1-amine is sourced from PubChem (CID 79423682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).