N-[[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]ethanamine

C15H21N3 — CID 61271139

IUPACN-[[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]ethanamine
SMILESCCNCc1c(C)nn(-c2ccccc2C)c1C
InChIInChI=1S/C15H21N3/c1-5-16-10-14-12(3)17-18(13(14)4)15-9-7-6-8-11(15)2/h6-9,16H,5,10H2,1-4H3
InChIKeyYRFGIHGJVJSHGD-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.91
Rot. Bonds4

About N-[[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]ethanamine

N-[[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]ethanamine (PubChem CID 61271139) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-[[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]ethanamine
PubChem CID61271139
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC NameN-[[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]ethanamine
SMILESCCNCc1c(C)nn(-c2ccccc2C)c1C
InChIInChI=1S/C15H21N3/c1-5-16-10-14-12(3)17-18(13(14)4)15-9-7-6-8-11(15)2/h6-9,16H,5,10H2,1-4H3
InChIKeyYRFGIHGJVJSHGD-UHFFFAOYSA-N
XLogP2.91
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 ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]-N-ethylpropan-1-amine
CID 79218619
N-[[1-(2,4-dimethylphenyl)-3,5-dimethylpyrazol-4-yl]methyl]ethanamine
CID 61271721
N-[[1-(3,4-dimethylphenyl)-3,5-dimethylpyrazol-4-yl]methyl]ethanamine
CID 84760401
N-[[1-(2,4-dimethylphenyl)-3,5-dimethylpyrazol-4-yl]methyl]propan-1-amine
CID 61271722
N-[[2-(4-bromo-3,5-dimethylpyrazol-1-yl)phenyl]methyl]ethanamine
CID 55038754
N-[[3,5-dimethyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]methyl]ethanamine
CID 84760417
N-[[1-(4-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]methyl]ethanamine
CID 63173161
3-[1-(2-bromophenyl)-3,5-dimethylpyrazol-4-yl]-N-ethylpropan-1-amine
CID 79225272
1-[1-(2-bromophenyl)-3,5-dimethylpyrazol-4-yl]-N-methylmethanamine
CID 61271337
3-[[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl-methylamino]propan-1-ol
CID 110903453
N-[[3,5-dimethyl-1-(3-methylsulfanylphenyl)pyrazol-4-yl]methyl]ethanamine
CID 84760444
2-(4-ethyl-3,5-dimethylpyrazol-1-yl)benzaldehyde
CID 61238668

Frequently Asked Questions

What is the IUPAC name of N-[[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]ethanamine (CID 61271139) is N-[[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]ethanamine is CCNCc1c(C)nn(-c2ccccc2C)c1C.
What is the InChIKey of N-[[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]ethanamine?
The InChIKey is YRFGIHGJVJSHGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-5-16-10-14-12(3)17-18(13(14)4)15-9-7-6-8-11(15)2/h6-9,16H,5,10H2,1-4H3.
What are the key properties of N-[[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]ethanamine?
N-[[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]ethanamine has a molecular weight of 243.35 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 61271139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).