2-methyl-N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]aniline

C13H17N3 — CID 115975791

IUPAC2-methyl-N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]aniline
SMILESCc1ccccc1NC(C)c1cn[nH]c1C
InChIInChI=1S/C13H17N3/c1-9-6-4-5-7-13(9)15-10(2)12-8-14-16-11(12)3/h4-8,10,15H,1-3H3,(H,14,16)
InChIKeyUTGGDODXEHWMGF-UHFFFAOYSA-N
MW215.30 g/mol
LogP3.20
Rot. Bonds3

About 2-methyl-N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]aniline

2-methyl-N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]aniline (PubChem CID 115975791) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 2-methyl-N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]aniline.

Molecular Properties

Compound Name2-methyl-N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]aniline
PubChem CID115975791
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name2-methyl-N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]aniline
SMILESCc1ccccc1NC(C)c1cn[nH]c1C
InChIInChI=1S/C13H17N3/c1-9-6-4-5-7-13(9)15-10(2)12-8-14-16-11(12)3/h4-8,10,15H,1-3H3,(H,14,16)
InChIKeyUTGGDODXEHWMGF-UHFFFAOYSA-N
XLogP3.20
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-iodo-N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]aniline
CID 115976114
3-methyl-N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]aniline
CID 115975807
2-methyl-N-[1-(2,4,5-trimethylphenyl)ethyl]aniline
CID 43110111
2-methyl-N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]pyrazol-3-amine
CID 115975981
3-methyl-N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]butan-2-amine
CID 115970374
2-methyl-N-(1-naphthalen-1-ylethyl)aniline
CID 43103327
2-methyl-N-[1-(4-methylphenyl)ethyl]aniline
CID 43196651
1-(5-methyl-1H-pyrazol-4-yl)ethanamine
CID 43209035
1-(5-methyl-1H-pyrazol-4-yl)-N-(2-thiophen-2-ylethyl)ethanamine
CID 115970342
N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]-3-methylsulfinylpropan-1-amine
CID 115972018
N-[1-(2-methoxy-4-methylphenyl)ethyl]-2-methylaniline
CID 43766137
N-[1-(2-chloro-4-fluorophenyl)ethyl]-2-methylaniline
CID 43766127

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]aniline?
The IUPAC name of 2-methyl-N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]aniline (CID 115975791) is 2-methyl-N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]aniline.
What is the SMILES notation for 2-methyl-N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]aniline?
The canonical SMILES for 2-methyl-N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]aniline is Cc1ccccc1NC(C)c1cn[nH]c1C.
What is the InChIKey of 2-methyl-N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]aniline?
The InChIKey is UTGGDODXEHWMGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-9-6-4-5-7-13(9)15-10(2)12-8-14-16-11(12)3/h4-8,10,15H,1-3H3,(H,14,16).
What are the key properties of 2-methyl-N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]aniline?
2-methyl-N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]aniline has a molecular weight of 215.30 g/mol, XLogP of 3.20, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]aniline is sourced from PubChem (CID 115975791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).