N-ethyl-2-(2-methylphenyl)-1-(1-methylpyrazol-3-yl)ethanamine

C15H21N3 — CID 65200329

IUPACN-ethyl-2-(2-methylphenyl)-1-(1-methylpyrazol-3-yl)ethanamine
SMILESCCNC(Cc1ccccc1C)c1ccn(C)n1
InChIInChI=1S/C15H21N3/c1-4-16-15(14-9-10-18(3)17-14)11-13-8-6-5-7-12(13)2/h5-10,15-16H,4,11H2,1-3H3
InChIKeyIXIMQJYJQIENCH-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.62
Rot. Bonds5

About N-ethyl-2-(2-methylphenyl)-1-(1-methylpyrazol-3-yl)ethanamine

N-ethyl-2-(2-methylphenyl)-1-(1-methylpyrazol-3-yl)ethanamine (PubChem CID 65200329) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-ethyl-2-(2-methylphenyl)-1-(1-methylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(2-methylphenyl)-1-(1-methylpyrazol-3-yl)ethanamine
PubChem CID65200329
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC NameN-ethyl-2-(2-methylphenyl)-1-(1-methylpyrazol-3-yl)ethanamine
SMILESCCNC(Cc1ccccc1C)c1ccn(C)n1
InChIInChI=1S/C15H21N3/c1-4-16-15(14-9-10-18(3)17-14)11-13-8-6-5-7-12(13)2/h5-10,15-16H,4,11H2,1-3H3
InChIKeyIXIMQJYJQIENCH-UHFFFAOYSA-N
XLogP2.62
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromophenyl)-N-ethyl-1-(1-methylpyrazol-3-yl)ethanamine
CID 65200168
[2-(2-methylphenyl)-1-(1-methylpyrazol-3-yl)ethyl]hydrazine
CID 105228693
N-ethyl-1,2-bis(1-methylpyrazol-3-yl)ethanamine
CID 82878256
2-(2-bromo-5-fluorophenyl)-N-ethyl-1-(1-methylpyrazol-3-yl)ethanamine
CID 65200283
2-(2,6-dichlorophenyl)-N-ethyl-1-(1-methylpyrazol-3-yl)ethanamine
CID 65200586
2-(2,4-dichlorophenyl)-N-ethyl-1-(1-methylpyrazol-3-yl)ethanamine
CID 65200540
N-[(2-methylphenyl)-(1-methylpyrazol-3-yl)methyl]ethanamine
CID 65200482
N-ethyl-2-(4-iodophenyl)-1-(1-methylpyrazol-3-yl)ethanamine
CID 65479181
N-methyl-1-(1-methylpyrazol-3-yl)-2-naphthalen-1-ylethanamine
CID 65200268
N-ethyl-2-ethylsulfanyl-1-(1-methylpyrazol-3-yl)ethanamine
CID 103130891
N-[(2-ethylphenyl)-(1-methylpyrazol-3-yl)methyl]ethanamine
CID 103135731
1-(2,4-dimethylphenyl)-N-ethyl-2-(2-methylphenyl)ethanamine
CID 43489975

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(2-methylphenyl)-1-(1-methylpyrazol-3-yl)ethanamine?
The IUPAC name of N-ethyl-2-(2-methylphenyl)-1-(1-methylpyrazol-3-yl)ethanamine (CID 65200329) is N-ethyl-2-(2-methylphenyl)-1-(1-methylpyrazol-3-yl)ethanamine.
What is the SMILES notation for N-ethyl-2-(2-methylphenyl)-1-(1-methylpyrazol-3-yl)ethanamine?
The canonical SMILES for N-ethyl-2-(2-methylphenyl)-1-(1-methylpyrazol-3-yl)ethanamine is CCNC(Cc1ccccc1C)c1ccn(C)n1.
What is the InChIKey of N-ethyl-2-(2-methylphenyl)-1-(1-methylpyrazol-3-yl)ethanamine?
The InChIKey is IXIMQJYJQIENCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-4-16-15(14-9-10-18(3)17-14)11-13-8-6-5-7-12(13)2/h5-10,15-16H,4,11H2,1-3H3.
What are the key properties of N-ethyl-2-(2-methylphenyl)-1-(1-methylpyrazol-3-yl)ethanamine?
N-ethyl-2-(2-methylphenyl)-1-(1-methylpyrazol-3-yl)ethanamine has a molecular weight of 243.35 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(2-methylphenyl)-1-(1-methylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 65200329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).