2-(5-tert-butyl-1-methylpyrazol-4-yl)-N-methylethanamine

C11H21N3 — CID 83831083

IUPAC2-(5-tert-butyl-1-methylpyrazol-4-yl)-N-methylethanamine
SMILESCNCCc1cnn(C)c1C(C)(C)C
InChIInChI=1S/C11H21N3/c1-11(2,3)10-9(6-7-12-4)8-13-14(10)5/h8,12H,6-7H2,1-5H3
InChIKeyJHUAHROJOKXCGL-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.48
Rot. Bonds3

About 2-(5-tert-butyl-1-methylpyrazol-4-yl)-N-methylethanamine

2-(5-tert-butyl-1-methylpyrazol-4-yl)-N-methylethanamine (PubChem CID 83831083) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 2-(5-tert-butyl-1-methylpyrazol-4-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(5-tert-butyl-1-methylpyrazol-4-yl)-N-methylethanamine
PubChem CID83831083
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name2-(5-tert-butyl-1-methylpyrazol-4-yl)-N-methylethanamine
SMILESCNCCc1cnn(C)c1C(C)(C)C
InChIInChI=1S/C11H21N3/c1-11(2,3)10-9(6-7-12-4)8-13-14(10)5/h8,12H,6-7H2,1-5H3
InChIKeyJHUAHROJOKXCGL-UHFFFAOYSA-N
XLogP1.48
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-tert-butyl-1-methylpyrazol-4-yl)propan-1-amine
CID 83879605
5-tert-butyl-1-methyl-4-(2,2,2-trifluoroethyl)pyrazole
CID 155787889
2-(5-chloro-1-ethylpyrazol-4-yl)-N-methylethanamine
CID 84770611
2-(4-bromo-1-methylpyrazol-5-yl)-4-(methylamino)butan-2-ol
CID 114665935
2-(1-tert-butyl-5-propylpyrazol-4-yl)-N-methylethanamine
CID 105481356
4-(1,5-dimethylpyrazol-4-yl)-N-methylbutan-1-amine
CID 79583961
2-(5-tert-butyl-1,2-oxazol-4-yl)-N-methylethanamine
CID 83828545
2-(5-chloro-1-cyclobutylpyrazol-4-yl)-N-methylethanamine
CID 115028565
5-tert-butyl-1-methylpyrazole-4-carbonitrile
CID 58431827
N-methyl-2-(1,2,5-trimethylpyrrol-3-yl)ethanamine
CID 82490467
N'-[(1,5-dimethylpyrazol-4-yl)methyl]-N,N'-dimethylethane-1,2-diamine
CID 79584745
N-[2-(1,5-dimethylpyrazol-4-yl)ethyl]propan-2-amine
CID 79596541

Frequently Asked Questions

What is the IUPAC name of 2-(5-tert-butyl-1-methylpyrazol-4-yl)-N-methylethanamine?
The IUPAC name of 2-(5-tert-butyl-1-methylpyrazol-4-yl)-N-methylethanamine (CID 83831083) is 2-(5-tert-butyl-1-methylpyrazol-4-yl)-N-methylethanamine.
What is the SMILES notation for 2-(5-tert-butyl-1-methylpyrazol-4-yl)-N-methylethanamine?
The canonical SMILES for 2-(5-tert-butyl-1-methylpyrazol-4-yl)-N-methylethanamine is CNCCc1cnn(C)c1C(C)(C)C.
What is the InChIKey of 2-(5-tert-butyl-1-methylpyrazol-4-yl)-N-methylethanamine?
The InChIKey is JHUAHROJOKXCGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-11(2,3)10-9(6-7-12-4)8-13-14(10)5/h8,12H,6-7H2,1-5H3.
What are the key properties of 2-(5-tert-butyl-1-methylpyrazol-4-yl)-N-methylethanamine?
2-(5-tert-butyl-1-methylpyrazol-4-yl)-N-methylethanamine has a molecular weight of 195.31 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-tert-butyl-1-methylpyrazol-4-yl)-N-methylethanamine is sourced from PubChem (CID 83831083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).