3-ethyl-1-methyl-N-(oxetan-3-yl)pyrazol-4-amine

C9H15N3O — CID 107462340

IUPAC3-ethyl-1-methyl-N-(oxetan-3-yl)pyrazol-4-amine
SMILESCCc1nn(C)cc1NC1COC1
InChIInChI=1S/C9H15N3O/c1-3-8-9(4-12(2)11-8)10-7-5-13-6-7/h4,7,10H,3,5-6H2,1-2H3
InChIKeyOQTDONSCWZWYIR-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.79
Rot. Bonds3

About 3-ethyl-1-methyl-N-(oxetan-3-yl)pyrazol-4-amine

3-ethyl-1-methyl-N-(oxetan-3-yl)pyrazol-4-amine (PubChem CID 107462340) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 3-ethyl-1-methyl-N-(oxetan-3-yl)pyrazol-4-amine.

Molecular Properties

Compound Name3-ethyl-1-methyl-N-(oxetan-3-yl)pyrazol-4-amine
PubChem CID107462340
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name3-ethyl-1-methyl-N-(oxetan-3-yl)pyrazol-4-amine
SMILESCCc1nn(C)cc1NC1COC1
InChIInChI=1S/C9H15N3O/c1-3-8-9(4-12(2)11-8)10-7-5-13-6-7/h4,7,10H,3,5-6H2,1-2H3
InChIKeyOQTDONSCWZWYIR-UHFFFAOYSA-N
XLogP0.79
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(methoxymethyl)-1-methyl-N-(oxetan-3-yl)pyrazol-4-amine
CID 130702708
N-(3-ethyl-1-methylpyrazol-4-yl)-1-methylpiperidin-4-amine
CID 115923202
1,3-dimethyl-N-(oxetan-3-yl)pyrazol-4-amine
CID 102804176
N-(3-ethyl-1-methylpyrazol-4-yl)-1-methylpiperidin-3-amine
CID 107462403
3-ethyl-N-(4-ethylcycloheptyl)-1-methylpyrazol-4-amine
CID 107462402
tert-butyl N-[3-[(3-ethyl-1-methylpyrazol-4-yl)amino]cyclobutyl]carbamate
CID 107462484
(3-ethyl-1-methylpyrazol-4-yl)hydrazine
CID 107462607
N-(2-bicyclo[2.2.1]heptanyl)-3-ethyl-1-methylpyrazol-4-amine
CID 115923170
N-(2,2-dimethylpropyl)-3-ethyl-1-methylpyrazol-4-amine
CID 115898031
N-cyclopropyl-2-[(3-ethyl-1-methylpyrazol-4-yl)amino]propanamide
CID 104934563
3-ethyl-1-methyl-N-pentylpyrazol-4-amine
CID 107462468
N-(3-ethyl-1-methylpyrazol-4-yl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 107463958

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methyl-N-(oxetan-3-yl)pyrazol-4-amine?
The IUPAC name of 3-ethyl-1-methyl-N-(oxetan-3-yl)pyrazol-4-amine (CID 107462340) is 3-ethyl-1-methyl-N-(oxetan-3-yl)pyrazol-4-amine.
What is the SMILES notation for 3-ethyl-1-methyl-N-(oxetan-3-yl)pyrazol-4-amine?
The canonical SMILES for 3-ethyl-1-methyl-N-(oxetan-3-yl)pyrazol-4-amine is CCc1nn(C)cc1NC1COC1.
What is the InChIKey of 3-ethyl-1-methyl-N-(oxetan-3-yl)pyrazol-4-amine?
The InChIKey is OQTDONSCWZWYIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-3-8-9(4-12(2)11-8)10-7-5-13-6-7/h4,7,10H,3,5-6H2,1-2H3.
What are the key properties of 3-ethyl-1-methyl-N-(oxetan-3-yl)pyrazol-4-amine?
3-ethyl-1-methyl-N-(oxetan-3-yl)pyrazol-4-amine has a molecular weight of 181.24 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methyl-N-(oxetan-3-yl)pyrazol-4-amine is sourced from PubChem (CID 107462340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).