2-(4-ethoxypyrazol-1-yl)-N-methylethanamine

C8H15N3O — CID 117125349

IUPAC2-(4-ethoxypyrazol-1-yl)-N-methylethanamine
SMILESCCOc1cnn(CCNC)c1
InChIInChI=1S/C8H15N3O/c1-3-12-8-6-10-11(7-8)5-4-9-2/h6-7,9H,3-5H2,1-2H3
InChIKeyMTRYMDXRSCKKNF-UHFFFAOYSA-N
MW169.23 g/mol
LogP0.50
Rot. Bonds5

About 2-(4-ethoxypyrazol-1-yl)-N-methylethanamine

2-(4-ethoxypyrazol-1-yl)-N-methylethanamine (PubChem CID 117125349) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 2-(4-ethoxypyrazol-1-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(4-ethoxypyrazol-1-yl)-N-methylethanamine
PubChem CID117125349
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name2-(4-ethoxypyrazol-1-yl)-N-methylethanamine
SMILESCCOc1cnn(CCNC)c1
InChIInChI=1S/C8H15N3O/c1-3-12-8-6-10-11(7-8)5-4-9-2/h6-7,9H,3-5H2,1-2H3
InChIKeyMTRYMDXRSCKKNF-UHFFFAOYSA-N
XLogP0.50
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-cyclopentyloxypyrazol-1-yl)-N-methylethanamine
CID 117125339
2-(4-ethoxypyrazol-1-yl)acetaldehyde
CID 117124915
4-propoxy-1-propylpyrazole
CID 116805185
3-[1-[2-(methylamino)ethyl]pyrazol-4-yl]oxyphenol
CID 117125332
N-[2-(4-propoxypyrazol-1-yl)ethyl]aniline
CID 114274287
1-[2-(4-ethoxyphenoxy)ethyl]pyrazol-4-amine
CID 62138455
1-(azetidin-3-ylmethyl)-4-ethoxypyrazole
CID 117125073
N-methyl-1-[5-[(1-propylpyrazol-4-yl)oxymethyl]furan-2-yl]methanamine
CID 116803441
2-(1-propylpyrazol-4-yl)oxyacetonitrile
CID 116805140
N-methyl-2-(4-pyridin-4-ylpyrazol-1-yl)ethanamine
CID 121213954
5-(4-ethoxypyrazol-1-yl)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 114274001
N-(cyclopropylmethyl)-2-(1-propylpyrazol-4-yl)oxyethanamine
CID 116803867

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxypyrazol-1-yl)-N-methylethanamine?
The IUPAC name of 2-(4-ethoxypyrazol-1-yl)-N-methylethanamine (CID 117125349) is 2-(4-ethoxypyrazol-1-yl)-N-methylethanamine.
What is the SMILES notation for 2-(4-ethoxypyrazol-1-yl)-N-methylethanamine?
The canonical SMILES for 2-(4-ethoxypyrazol-1-yl)-N-methylethanamine is CCOc1cnn(CCNC)c1.
What is the InChIKey of 2-(4-ethoxypyrazol-1-yl)-N-methylethanamine?
The InChIKey is MTRYMDXRSCKKNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-3-12-8-6-10-11(7-8)5-4-9-2/h6-7,9H,3-5H2,1-2H3.
What are the key properties of 2-(4-ethoxypyrazol-1-yl)-N-methylethanamine?
2-(4-ethoxypyrazol-1-yl)-N-methylethanamine has a molecular weight of 169.23 g/mol, XLogP of 0.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxypyrazol-1-yl)-N-methylethanamine is sourced from PubChem (CID 117125349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).