1-(2-ethyl-5-methylpyrazol-3-yl)-5-methoxy-4-methyl-N-propylpentan-2-amine

C16H31N3O — CID 105162393

IUPAC1-(2-ethyl-5-methylpyrazol-3-yl)-5-methoxy-4-methyl-N-propylpentan-2-amine
SMILESCCCNC(Cc1cc(C)nn1CC)CC(C)COC
InChIInChI=1S/C16H31N3O/c1-6-8-17-15(9-13(3)12-20-5)11-16-10-14(4)18-19(16)7-2/h10,13,15,17H,6-9,11-12H2,1-5H3
InChIKeyDYYBVUXDQSJQFQ-UHFFFAOYSA-N
MW281.44 g/mol
LogP2.79
Rot. Bonds10

About 1-(2-ethyl-5-methylpyrazol-3-yl)-5-methoxy-4-methyl-N-propylpentan-2-amine

1-(2-ethyl-5-methylpyrazol-3-yl)-5-methoxy-4-methyl-N-propylpentan-2-amine (PubChem CID 105162393) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 1-(2-ethyl-5-methylpyrazol-3-yl)-5-methoxy-4-methyl-N-propylpentan-2-amine.

Molecular Properties

Compound Name1-(2-ethyl-5-methylpyrazol-3-yl)-5-methoxy-4-methyl-N-propylpentan-2-amine
PubChem CID105162393
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name1-(2-ethyl-5-methylpyrazol-3-yl)-5-methoxy-4-methyl-N-propylpentan-2-amine
SMILESCCCNC(Cc1cc(C)nn1CC)CC(C)COC
InChIInChI=1S/C16H31N3O/c1-6-8-17-15(9-13(3)12-20-5)11-16-10-14(4)18-19(16)7-2/h10,13,15,17H,6-9,11-12H2,1-5H3
InChIKeyDYYBVUXDQSJQFQ-UHFFFAOYSA-N
XLogP2.79
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-dimethylpyrazol-3-yl)-5-methoxy-4-methyl-N-propylpentan-2-amine
CID 105158603
1-(2-ethyl-5-methylpyrazol-3-yl)-3-[(2-methylpropan-2-yl)oxy]-N-propylpropan-2-amine
CID 105162436
5-ethoxy-1-(2-ethyl-5-methylpyrazol-3-yl)-N-propylpentan-2-amine
CID 105162468
1-cyclopentyl-3-(2-ethyl-5-methylpyrazol-3-yl)-N-propylpropan-2-amine
CID 105002712
1-(2-ethyl-5-methylpyrazol-3-yl)propan-2-ylhydrazine
CID 105201198
[1-(2-ethyl-5-methylpyrazol-3-yl)-3-methylpentan-2-yl]hydrazine
CID 105219543
1-(2,5-dimethylpyrazol-3-yl)-5-methoxy-N-propylhexan-2-amine
CID 105158544
N-[2-(2-ethyl-5-methylpyrazol-3-yl)-1-(5-iodothiophen-3-yl)ethyl]propan-1-amine
CID 105002687
1-(2-ethyl-5-methylpyrazol-3-yl)-3-methoxybutan-2-amine
CID 79616916
N-[2-(2-ethyl-5-methylpyrazol-3-yl)-1-(1-methylcyclohexyl)ethyl]propan-1-amine
CID 106830290
1-(5-ethyl-2-pyridinyl)-5-methoxy-4-methyl-N-propylpentan-2-amine
CID 105168927
N-[1-(3-chloro-2-pyridinyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 103444850

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-5-methylpyrazol-3-yl)-5-methoxy-4-methyl-N-propylpentan-2-amine?
The IUPAC name of 1-(2-ethyl-5-methylpyrazol-3-yl)-5-methoxy-4-methyl-N-propylpentan-2-amine (CID 105162393) is 1-(2-ethyl-5-methylpyrazol-3-yl)-5-methoxy-4-methyl-N-propylpentan-2-amine.
What is the SMILES notation for 1-(2-ethyl-5-methylpyrazol-3-yl)-5-methoxy-4-methyl-N-propylpentan-2-amine?
The canonical SMILES for 1-(2-ethyl-5-methylpyrazol-3-yl)-5-methoxy-4-methyl-N-propylpentan-2-amine is CCCNC(Cc1cc(C)nn1CC)CC(C)COC.
What is the InChIKey of 1-(2-ethyl-5-methylpyrazol-3-yl)-5-methoxy-4-methyl-N-propylpentan-2-amine?
The InChIKey is DYYBVUXDQSJQFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-6-8-17-15(9-13(3)12-20-5)11-16-10-14(4)18-19(16)7-2/h10,13,15,17H,6-9,11-12H2,1-5H3.
What are the key properties of 1-(2-ethyl-5-methylpyrazol-3-yl)-5-methoxy-4-methyl-N-propylpentan-2-amine?
1-(2-ethyl-5-methylpyrazol-3-yl)-5-methoxy-4-methyl-N-propylpentan-2-amine has a molecular weight of 281.44 g/mol, XLogP of 2.79, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-5-methylpyrazol-3-yl)-5-methoxy-4-methyl-N-propylpentan-2-amine is sourced from PubChem (CID 105162393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).