N-[[1-(3,5-dimethylphenyl)-3,5-diethylpyrazol-4-yl]methyl]ethanamine

C18H27N3 — CID 107431063

IUPACN-[[1-(3,5-dimethylphenyl)-3,5-diethylpyrazol-4-yl]methyl]ethanamine
SMILESCCNCc1c(CC)nn(-c2cc(C)cc(C)c2)c1CC
InChIInChI=1S/C18H27N3/c1-6-17-16(12-19-8-3)18(7-2)21(20-17)15-10-13(4)9-14(5)11-15/h9-11,19H,6-8,12H2,1-5H3
InChIKeyRDRARXZNLDTKDJ-UHFFFAOYSA-N
MW285.44 g/mol
LogP3.72
Rot. Bonds6

About N-[[1-(3,5-dimethylphenyl)-3,5-diethylpyrazol-4-yl]methyl]ethanamine

N-[[1-(3,5-dimethylphenyl)-3,5-diethylpyrazol-4-yl]methyl]ethanamine (PubChem CID 107431063) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is N-[[1-(3,5-dimethylphenyl)-3,5-diethylpyrazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(3,5-dimethylphenyl)-3,5-diethylpyrazol-4-yl]methyl]ethanamine
PubChem CID107431063
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC NameN-[[1-(3,5-dimethylphenyl)-3,5-diethylpyrazol-4-yl]methyl]ethanamine
SMILESCCNCc1c(CC)nn(-c2cc(C)cc(C)c2)c1CC
InChIInChI=1S/C18H27N3/c1-6-17-16(12-19-8-3)18(7-2)21(20-17)15-10-13(4)9-14(5)11-15/h9-11,19H,6-8,12H2,1-5H3
InChIKeyRDRARXZNLDTKDJ-UHFFFAOYSA-N
XLogP3.72
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(4-bromo-2-methylphenyl)-3,5-diethylpyrazol-4-yl]methyl]ethanamine
CID 107431168
N-[[1-(3,5-dimethylphenyl)-5-ethylpyrazol-4-yl]methyl]ethanamine
CID 66440506
[1-(4-bromo-3,5-dimethylphenyl)-3,5-diethylpyrazol-4-yl]methanol
CID 174366618
1-(3,5-diethyl-1-pyridin-4-ylpyrazol-4-yl)-N-methylmethanamine
CID 107431079
5-chloro-1-(3,5-dimethylphenyl)-3-ethyl-4-methylpyrazole
CID 66020556
1-[1-(4-chloro-3-fluorophenyl)-3,5-diethylpyrazol-4-yl]-N-methylmethanamine
CID 107431150
N-[[3,5-diethyl-1-(3-fluoropropyl)pyrazol-4-yl]methyl]ethanamine
CID 82697029
N-[[3,5-diethyl-1-[(4-iodophenyl)methyl]pyrazol-4-yl]methyl]ethanamine
CID 82700027
5-chloro-1-(3,5-dimethylphenyl)-3-ethylpyrazole-4-carboxylic acid
CID 43542603
N-[[3,5-diethyl-1-(3-methoxypropyl)pyrazol-4-yl]methyl]ethanamine
CID 82697711
N-[(3,5-diethyl-1-pyrazin-2-ylpyrazol-4-yl)methyl]propan-1-amine
CID 107431163
N-[[1-(2-chlorophenyl)-3,5-diethylpyrazol-4-yl]methyl]propan-1-amine
CID 107431053

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3,5-dimethylphenyl)-3,5-diethylpyrazol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[1-(3,5-dimethylphenyl)-3,5-diethylpyrazol-4-yl]methyl]ethanamine (CID 107431063) is N-[[1-(3,5-dimethylphenyl)-3,5-diethylpyrazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(3,5-dimethylphenyl)-3,5-diethylpyrazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-(3,5-dimethylphenyl)-3,5-diethylpyrazol-4-yl]methyl]ethanamine is CCNCc1c(CC)nn(-c2cc(C)cc(C)c2)c1CC.
What is the InChIKey of N-[[1-(3,5-dimethylphenyl)-3,5-diethylpyrazol-4-yl]methyl]ethanamine?
The InChIKey is RDRARXZNLDTKDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-6-17-16(12-19-8-3)18(7-2)21(20-17)15-10-13(4)9-14(5)11-15/h9-11,19H,6-8,12H2,1-5H3.
What are the key properties of N-[[1-(3,5-dimethylphenyl)-3,5-diethylpyrazol-4-yl]methyl]ethanamine?
N-[[1-(3,5-dimethylphenyl)-3,5-diethylpyrazol-4-yl]methyl]ethanamine has a molecular weight of 285.44 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3,5-dimethylphenyl)-3,5-diethylpyrazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 107431063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).