3-(1-ethyl-4-methoxypyrazol-5-yl)-N,2-dimethylpropan-1-amine

C11H21N3O — CID 114664456

IUPAC3-(1-ethyl-4-methoxypyrazol-5-yl)-N,2-dimethylpropan-1-amine
SMILESCCn1ncc(OC)c1CC(C)CNC
InChIInChI=1S/C11H21N3O/c1-5-14-10(6-9(2)7-12-3)11(15-4)8-13-14/h8-9,12H,5-7H2,1-4H3
InChIKeyGXTHMZMHYOAGNQ-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.31
Rot. Bonds6

About 3-(1-ethyl-4-methoxypyrazol-5-yl)-N,2-dimethylpropan-1-amine

3-(1-ethyl-4-methoxypyrazol-5-yl)-N,2-dimethylpropan-1-amine (PubChem CID 114664456) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 3-(1-ethyl-4-methoxypyrazol-5-yl)-N,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-(1-ethyl-4-methoxypyrazol-5-yl)-N,2-dimethylpropan-1-amine
PubChem CID114664456
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name3-(1-ethyl-4-methoxypyrazol-5-yl)-N,2-dimethylpropan-1-amine
SMILESCCn1ncc(OC)c1CC(C)CNC
InChIInChI=1S/C11H21N3O/c1-5-14-10(6-9(2)7-12-3)11(15-4)8-13-14/h8-9,12H,5-7H2,1-4H3
InChIKeyGXTHMZMHYOAGNQ-UHFFFAOYSA-N
XLogP1.31
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-ethyl-4-methoxypyrazol-5-yl)methyl]propan-2-amine
CID 114652111
3-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 114664539
1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylpentan-3-amine
CID 114664255
1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylhexan-3-amine
CID 114664174
2-(1-ethyl-4-methoxypyrazol-5-yl)ethanol
CID 114662423
5-(3-chloro-2-methylpropyl)-4-methoxy-1-methylpyrazole
CID 114665520
2-[5-(3-chloro-2-methylpropyl)-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine
CID 114665514
2-(1-ethyl-4-methoxypyrazol-5-yl)-N-(2-methoxyethyl)ethanamine
CID 114662835
3-(1-ethyl-4-methoxypyrazol-5-yl)-N,3-dimethylbutan-1-amine
CID 114667004
3-(4-bromo-1-methylpyrazol-5-yl)-N,2-dimethylpropan-1-amine
CID 114664458
N-tert-butyl-3-(1-ethyl-4-methoxypyrazol-5-yl)-2-methylbutan-1-amine
CID 114666878
1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methyl-2-methylsulfanylethanamine
CID 114649759

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethyl-4-methoxypyrazol-5-yl)-N,2-dimethylpropan-1-amine?
The IUPAC name of 3-(1-ethyl-4-methoxypyrazol-5-yl)-N,2-dimethylpropan-1-amine (CID 114664456) is 3-(1-ethyl-4-methoxypyrazol-5-yl)-N,2-dimethylpropan-1-amine.
What is the SMILES notation for 3-(1-ethyl-4-methoxypyrazol-5-yl)-N,2-dimethylpropan-1-amine?
The canonical SMILES for 3-(1-ethyl-4-methoxypyrazol-5-yl)-N,2-dimethylpropan-1-amine is CCn1ncc(OC)c1CC(C)CNC.
What is the InChIKey of 3-(1-ethyl-4-methoxypyrazol-5-yl)-N,2-dimethylpropan-1-amine?
The InChIKey is GXTHMZMHYOAGNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-5-14-10(6-9(2)7-12-3)11(15-4)8-13-14/h8-9,12H,5-7H2,1-4H3.
What are the key properties of 3-(1-ethyl-4-methoxypyrazol-5-yl)-N,2-dimethylpropan-1-amine?
3-(1-ethyl-4-methoxypyrazol-5-yl)-N,2-dimethylpropan-1-amine has a molecular weight of 211.31 g/mol, XLogP of 1.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethyl-4-methoxypyrazol-5-yl)-N,2-dimethylpropan-1-amine is sourced from PubChem (CID 114664456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).