2-(1-ethylpyrazol-4-yl)oxy-N-methylbutan-1-amine

C10H19N3O — CID 116803166

IUPAC2-(1-ethylpyrazol-4-yl)oxy-N-methylbutan-1-amine
SMILESCCC(CNC)Oc1cnn(CC)c1
InChIInChI=1S/C10H19N3O/c1-4-9(6-11-3)14-10-7-12-13(5-2)8-10/h7-9,11H,4-6H2,1-3H3
InChIKeyRUCUZBUTKULTTE-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.28
Rot. Bonds6

About 2-(1-ethylpyrazol-4-yl)oxy-N-methylbutan-1-amine

2-(1-ethylpyrazol-4-yl)oxy-N-methylbutan-1-amine (PubChem CID 116803166) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-(1-ethylpyrazol-4-yl)oxy-N-methylbutan-1-amine.

Molecular Properties

Compound Name2-(1-ethylpyrazol-4-yl)oxy-N-methylbutan-1-amine
PubChem CID116803166
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name2-(1-ethylpyrazol-4-yl)oxy-N-methylbutan-1-amine
SMILESCCC(CNC)Oc1cnn(CC)c1
InChIInChI=1S/C10H19N3O/c1-4-9(6-11-3)14-10-7-12-13(5-2)8-10/h7-9,11H,4-6H2,1-3H3
InChIKeyRUCUZBUTKULTTE-UHFFFAOYSA-N
XLogP1.28
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-ethylpyrazol-4-yl)oxy-N-propylbutan-1-amine
CID 116803250
2-(1-ethylpyrazol-4-yl)oxy-N-methylpropanamide
CID 116804462
2-(1-ethylpyrazol-4-yl)oxypropanenitrile
CID 116804628
2-[4-[(1-ethylpyrazol-4-yl)oxymethyl]phenyl]-N-methylpropan-1-amine
CID 105351313
ethyl 2-(1-ethylpyrazol-4-yl)oxy-2-fluoroacetate
CID 116800069
N-cyclopropyl-2-(1-ethylpyrazol-4-yl)oxypropanamide
CID 116804714
1-ethyl-4-(2-methylbutoxy)pyrazole
CID 116804469
2-(1-ethylpyrazol-4-yl)oxy-N-pentan-3-ylacetamide
CID 116804587
(1S)-1-[4-(1-ethylpyrazol-4-yl)oxyphenyl]propan-1-ol
CID 114066991
1-ethyl-4-[(2-methylpropan-2-yl)oxy]pyrazole
CID 117229710
N-ethyl-3-(1-ethylpyrazol-4-yl)oxy-2-methylpropan-1-amine
CID 103075164
methyl 4-(1-ethylpyrazol-4-yl)oxybutanoate
CID 116800049

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylpyrazol-4-yl)oxy-N-methylbutan-1-amine?
The IUPAC name of 2-(1-ethylpyrazol-4-yl)oxy-N-methylbutan-1-amine (CID 116803166) is 2-(1-ethylpyrazol-4-yl)oxy-N-methylbutan-1-amine.
What is the SMILES notation for 2-(1-ethylpyrazol-4-yl)oxy-N-methylbutan-1-amine?
The canonical SMILES for 2-(1-ethylpyrazol-4-yl)oxy-N-methylbutan-1-amine is CCC(CNC)Oc1cnn(CC)c1.
What is the InChIKey of 2-(1-ethylpyrazol-4-yl)oxy-N-methylbutan-1-amine?
The InChIKey is RUCUZBUTKULTTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-4-9(6-11-3)14-10-7-12-13(5-2)8-10/h7-9,11H,4-6H2,1-3H3.
What are the key properties of 2-(1-ethylpyrazol-4-yl)oxy-N-methylbutan-1-amine?
2-(1-ethylpyrazol-4-yl)oxy-N-methylbutan-1-amine has a molecular weight of 197.28 g/mol, XLogP of 1.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylpyrazol-4-yl)oxy-N-methylbutan-1-amine is sourced from PubChem (CID 116803166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).