N-(2-methoxyethyl)-2-(4-methylpyrazol-1-yl)ethanamine

C9H17N3O — CID 62565066

IUPACN-(2-methoxyethyl)-2-(4-methylpyrazol-1-yl)ethanamine
SMILESCOCCNCCn1cc(C)cn1
InChIInChI=1S/C9H17N3O/c1-9-7-11-12(8-9)5-3-10-4-6-13-2/h7-8,10H,3-6H2,1-2H3
InChIKeySKXWICZZBBVNDU-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.43
Rot. Bonds6

About N-(2-methoxyethyl)-2-(4-methylpyrazol-1-yl)ethanamine

N-(2-methoxyethyl)-2-(4-methylpyrazol-1-yl)ethanamine (PubChem CID 62565066) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-(4-methylpyrazol-1-yl)ethanamine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-(4-methylpyrazol-1-yl)ethanamine
PubChem CID62565066
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC NameN-(2-methoxyethyl)-2-(4-methylpyrazol-1-yl)ethanamine
SMILESCOCCNCCn1cc(C)cn1
InChIInChI=1S/C9H17N3O/c1-9-7-11-12(8-9)5-3-10-4-6-13-2/h7-8,10H,3-6H2,1-2H3
InChIKeySKXWICZZBBVNDU-UHFFFAOYSA-N
XLogP0.43
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.43
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

3-methoxy-N-[2-(4-methylpyrazol-1-yl)ethyl]propan-1-amine
CID 62565456
3-(2-methoxyethoxy)-N-[2-(4-methylpyrazol-1-yl)ethyl]propan-1-amine
CID 114130438
N-(2-methoxyethyl)-N'-methyl-N'-[2-(4-methylpyrazol-1-yl)ethyl]ethane-1,2-diamine
CID 114279056
N-(2-butoxyethyl)-2-(4-methylpyrazol-1-yl)ethanamine
CID 62566750
acetaldehyde;1-(2-methoxyethyl)-4-methylpyrazole
CID 144516291
N',N'-dimethyl-N-[2-(4-methylpyrazol-1-yl)ethyl]propane-1,3-diamine
CID 62565065
6-[2-(4-methylpyrazol-1-yl)ethylamino]hexan-1-ol
CID 103737929
N-(2-methoxyethyl)-2-(4-methylpyrazol-1-yl)acetamide
CID 19526602
N-[(4-methylphenyl)methyl]-2-(4-methylpyrazol-1-yl)ethanamine
CID 103649741
(Z)-3-chloro-2-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]prop-2-en-1-amine
CID 106438289
1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-[2-(4-methylpyrazol-1-yl)ethyl]guanidine;hydroiodide
CID 111768786
N,N-dimethyl-3-[2-(4-methylpyrazol-1-yl)ethylamino]propane-1-sulfonamide
CID 56780256

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-(4-methylpyrazol-1-yl)ethanamine?
The IUPAC name of N-(2-methoxyethyl)-2-(4-methylpyrazol-1-yl)ethanamine (CID 62565066) is N-(2-methoxyethyl)-2-(4-methylpyrazol-1-yl)ethanamine.
What is the SMILES notation for N-(2-methoxyethyl)-2-(4-methylpyrazol-1-yl)ethanamine?
The canonical SMILES for N-(2-methoxyethyl)-2-(4-methylpyrazol-1-yl)ethanamine is COCCNCCn1cc(C)cn1.
What is the InChIKey of N-(2-methoxyethyl)-2-(4-methylpyrazol-1-yl)ethanamine?
The InChIKey is SKXWICZZBBVNDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-9-7-11-12(8-9)5-3-10-4-6-13-2/h7-8,10H,3-6H2,1-2H3.
What are the key properties of N-(2-methoxyethyl)-2-(4-methylpyrazol-1-yl)ethanamine?
N-(2-methoxyethyl)-2-(4-methylpyrazol-1-yl)ethanamine has a molecular weight of 183.25 g/mol, XLogP of 0.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-(4-methylpyrazol-1-yl)ethanamine is sourced from PubChem (CID 62565066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).