N-ethyl-2-methyl-3-(3,4,5-trimethylpyrazol-1-yl)butan-1-amine

C13H25N3 — CID 81019267

IUPACN-ethyl-2-methyl-3-(3,4,5-trimethylpyrazol-1-yl)butan-1-amine
SMILESCCNCC(C)C(C)n1nc(C)c(C)c1C
InChIInChI=1S/C13H25N3/c1-7-14-8-9(2)12(5)16-13(6)10(3)11(4)15-16/h9,12,14H,7-8H2,1-6H3
InChIKeyMETUPAKZBKGXCE-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.61
Rot. Bonds5

About N-ethyl-2-methyl-3-(3,4,5-trimethylpyrazol-1-yl)butan-1-amine

N-ethyl-2-methyl-3-(3,4,5-trimethylpyrazol-1-yl)butan-1-amine (PubChem CID 81019267) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is N-ethyl-2-methyl-3-(3,4,5-trimethylpyrazol-1-yl)butan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-methyl-3-(3,4,5-trimethylpyrazol-1-yl)butan-1-amine
PubChem CID81019267
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC NameN-ethyl-2-methyl-3-(3,4,5-trimethylpyrazol-1-yl)butan-1-amine
SMILESCCNCC(C)C(C)n1nc(C)c(C)c1C
InChIInChI=1S/C13H25N3/c1-7-14-8-9(2)12(5)16-13(6)10(3)11(4)15-16/h9,12,14H,7-8H2,1-6H3
InChIKeyMETUPAKZBKGXCE-UHFFFAOYSA-N
XLogP2.61
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-(3,4,5-trimethylpyrazol-1-yl)propan-1-amine
CID 62440976
3,4,5-trimethyl-1-(3-methylbutan-2-yl)pyrazole
CID 131177145
N-[2-(3,4,5-trimethylpyrazol-1-yl)propyl]butan-2-amine
CID 62566998
3-(4-chloro-3-methylpyrazol-1-yl)-N-ethyl-2-methylbutan-1-amine
CID 81019736
3-methyl-N-propyl-2-(3,4,5-trimethylpyrazol-1-yl)butan-1-amine
CID 62442929
3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methyl-N-propan-2-ylbutan-1-amine
CID 79409091
N-ethyl-2-methyl-3-(3-methylpyrazol-1-yl)butan-1-amine
CID 81019389
N-propyl-3-(3,4,5-trimethylpyrazol-1-yl)butan-1-amine
CID 62441752
N-propyl-4-(3,4,5-trimethylpyrazol-1-yl)pentan-1-amine
CID 62441352
2-(4,5-dimethylimidazol-1-yl)-N-ethyl-3-methylbutan-1-amine
CID 62441020
(2R)-2-(3,4,5-trimethylpyrazol-1-yl)propanehydrazide
CID 94133466
1-(3,3-dimethylbutan-2-yl)-3,4,5-trimethylpyrazole
CID 130820048

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-3-(3,4,5-trimethylpyrazol-1-yl)butan-1-amine?
The IUPAC name of N-ethyl-2-methyl-3-(3,4,5-trimethylpyrazol-1-yl)butan-1-amine (CID 81019267) is N-ethyl-2-methyl-3-(3,4,5-trimethylpyrazol-1-yl)butan-1-amine.
What is the SMILES notation for N-ethyl-2-methyl-3-(3,4,5-trimethylpyrazol-1-yl)butan-1-amine?
The canonical SMILES for N-ethyl-2-methyl-3-(3,4,5-trimethylpyrazol-1-yl)butan-1-amine is CCNCC(C)C(C)n1nc(C)c(C)c1C.
What is the InChIKey of N-ethyl-2-methyl-3-(3,4,5-trimethylpyrazol-1-yl)butan-1-amine?
The InChIKey is METUPAKZBKGXCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-7-14-8-9(2)12(5)16-13(6)10(3)11(4)15-16/h9,12,14H,7-8H2,1-6H3.
What are the key properties of N-ethyl-2-methyl-3-(3,4,5-trimethylpyrazol-1-yl)butan-1-amine?
N-ethyl-2-methyl-3-(3,4,5-trimethylpyrazol-1-yl)butan-1-amine has a molecular weight of 223.36 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-3-(3,4,5-trimethylpyrazol-1-yl)butan-1-amine is sourced from PubChem (CID 81019267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).