2-[2-(3,4,5-trimethylpyrazol-1-yl)ethoxy]ethanamine

C10H19N3O — CID 103482318

IUPAC2-[2-(3,4,5-trimethylpyrazol-1-yl)ethoxy]ethanamine
SMILESCc1nn(CCOCCN)c(C)c1C
InChIInChI=1S/C10H19N3O/c1-8-9(2)12-13(10(8)3)5-7-14-6-4-11/h4-7,11H2,1-3H3
InChIKeyGVQIQKOTYFMPEC-UHFFFAOYSA-N
MW197.28 g/mol
LogP0.78
Rot. Bonds5

About 2-[2-(3,4,5-trimethylpyrazol-1-yl)ethoxy]ethanamine

2-[2-(3,4,5-trimethylpyrazol-1-yl)ethoxy]ethanamine (PubChem CID 103482318) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-[2-(3,4,5-trimethylpyrazol-1-yl)ethoxy]ethanamine.

Molecular Properties

Compound Name2-[2-(3,4,5-trimethylpyrazol-1-yl)ethoxy]ethanamine
PubChem CID103482318
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name2-[2-(3,4,5-trimethylpyrazol-1-yl)ethoxy]ethanamine
SMILESCc1nn(CCOCCN)c(C)c1C
InChIInChI=1S/C10H19N3O/c1-8-9(2)12-13(10(8)3)5-7-14-6-4-11/h4-7,11H2,1-3H3
InChIKeyGVQIQKOTYFMPEC-UHFFFAOYSA-N
XLogP0.78
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(1,3,5-trimethyl-1H-pyrazol-4-yl)methylamine
CID 2776430
[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl](methyl)amine
CID 7022224
Sbb010340
CID 6492580
(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methanamine
CID 16394814
1-(2-methoxyethyl)-3,5-dimethyl-1H-pyrazol-4-amine
CID 28412447
3-(3-Ethoxypropyl)-1-[(1,3,5-trimethyl-1H-pyrazol-4-YL)methyl]urea
CID 20964086
N-(oxan-3-yl)-3-(3,4,5-trimethylpyrazol-1-yl)propanamide
CID 110226048
2-(3,4,5-Trimethylpyrazol-1-yl)propan-1-amine
CID 6492579
N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]ethanamine
CID 23005746
N-methyl-1-(1,3,5-trimethyl-1H-pyrazol-4-yl)methanamine
CID 579620
(3,5-Dimethyl-1-propyl-1H-pyrazol-4-YL)methylamine
CID 19620896
[(1-Isopropyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]amine
CID 23005637

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4,5-trimethylpyrazol-1-yl)ethoxy]ethanamine?
The IUPAC name of 2-[2-(3,4,5-trimethylpyrazol-1-yl)ethoxy]ethanamine (CID 103482318) is 2-[2-(3,4,5-trimethylpyrazol-1-yl)ethoxy]ethanamine.
What is the SMILES notation for 2-[2-(3,4,5-trimethylpyrazol-1-yl)ethoxy]ethanamine?
The canonical SMILES for 2-[2-(3,4,5-trimethylpyrazol-1-yl)ethoxy]ethanamine is Cc1nn(CCOCCN)c(C)c1C.
What is the InChIKey of 2-[2-(3,4,5-trimethylpyrazol-1-yl)ethoxy]ethanamine?
The InChIKey is GVQIQKOTYFMPEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-8-9(2)12-13(10(8)3)5-7-14-6-4-11/h4-7,11H2,1-3H3.
What are the key properties of 2-[2-(3,4,5-trimethylpyrazol-1-yl)ethoxy]ethanamine?
2-[2-(3,4,5-trimethylpyrazol-1-yl)ethoxy]ethanamine has a molecular weight of 197.28 g/mol, XLogP of 0.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4,5-trimethylpyrazol-1-yl)ethoxy]ethanamine is sourced from PubChem (CID 103482318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).