N-ethyl-4-methoxy-4-methyl-1-(1-pentan-3-ylpyrazol-3-yl)pentan-2-amine

C17H33N3O — CID 103027345

IUPACN-ethyl-4-methoxy-4-methyl-1-(1-pentan-3-ylpyrazol-3-yl)pentan-2-amine
SMILESCCNC(Cc1ccn(C(CC)CC)n1)CC(C)(C)OC
InChIInChI=1S/C17H33N3O/c1-7-16(8-2)20-11-10-14(19-20)12-15(18-9-3)13-17(4,5)21-6/h10-11,15-16,18H,7-9,12-13H2,1-6H3
InChIKeyDSKGOAHDXIFRDL-UHFFFAOYSA-N
MW295.47 g/mol
LogP3.58
Rot. Bonds10

About N-ethyl-4-methoxy-4-methyl-1-(1-pentan-3-ylpyrazol-3-yl)pentan-2-amine

N-ethyl-4-methoxy-4-methyl-1-(1-pentan-3-ylpyrazol-3-yl)pentan-2-amine (PubChem CID 103027345) has the molecular formula C17H33N3O and a molecular weight of 295.47 g/mol. Its IUPAC name is N-ethyl-4-methoxy-4-methyl-1-(1-pentan-3-ylpyrazol-3-yl)pentan-2-amine.

Molecular Properties

Compound NameN-ethyl-4-methoxy-4-methyl-1-(1-pentan-3-ylpyrazol-3-yl)pentan-2-amine
PubChem CID103027345
Molecular FormulaC17H33N3O
Molecular Weight295.47 g/mol
Exact Mass295.26
IUPAC NameN-ethyl-4-methoxy-4-methyl-1-(1-pentan-3-ylpyrazol-3-yl)pentan-2-amine
SMILESCCNC(Cc1ccn(C(CC)CC)n1)CC(C)(C)OC
InChIInChI=1S/C17H33N3O/c1-7-16(8-2)20-11-10-14(19-20)12-15(18-9-3)13-17(4,5)21-6/h10-11,15-16,18H,7-9,12-13H2,1-6H3
InChIKeyDSKGOAHDXIFRDL-UHFFFAOYSA-N
XLogP3.58
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-Methoxy-3-methyl-1-(2-propylpyrazol-3-yl)butyl]hydrazine
CID 103025317
[1-(2-Ethylpyrazol-3-yl)-3-methoxy-3-methylbutyl]hydrazine
CID 103025318
[3-Methoxy-3-methyl-1-(2-methylpyrazol-3-yl)butyl]hydrazine
CID 103025319
[1-(1-Cyclohexylpyrazol-3-yl)-4-methoxy-4-methylpentan-2-yl]hydrazine
CID 103025341
[1-(2,5-Dimethylpyrazol-3-yl)-4-methoxy-4-methylpentan-2-yl]hydrazine
CID 103025366
[1-(3-Ethyl-1-methylpyrazol-5-yl)-4-methoxy-4-methylpentan-2-yl]hydrazine
CID 103025374
[4-Methoxy-4-methyl-1-(1-methylpyrazol-3-yl)pentan-2-yl]hydrazine
CID 103025446
[1-Methoxy-5-(2-methylpyrazol-3-yl)pentan-3-yl]hydrazine
CID 103026034
[1-(2-Methyloxolan-2-yl)-3-(2-methylpyrazol-3-yl)propyl]hydrazine
CID 103026043
[4-Methoxy-4-methyl-1-(2-methylpyrazol-3-yl)pentan-3-yl]hydrazine
CID 103026078
[5-Methoxy-5-methyl-1-(2-methylpyrazol-3-yl)hexan-3-yl]hydrazine
CID 103026128
[6-Methoxy-5-methyl-1-(2-methylpyrazol-3-yl)hexan-3-yl]hydrazine
CID 103026205

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methoxy-4-methyl-1-(1-pentan-3-ylpyrazol-3-yl)pentan-2-amine?
The IUPAC name of N-ethyl-4-methoxy-4-methyl-1-(1-pentan-3-ylpyrazol-3-yl)pentan-2-amine (CID 103027345) is N-ethyl-4-methoxy-4-methyl-1-(1-pentan-3-ylpyrazol-3-yl)pentan-2-amine.
What is the SMILES notation for N-ethyl-4-methoxy-4-methyl-1-(1-pentan-3-ylpyrazol-3-yl)pentan-2-amine?
The canonical SMILES for N-ethyl-4-methoxy-4-methyl-1-(1-pentan-3-ylpyrazol-3-yl)pentan-2-amine is CCNC(Cc1ccn(C(CC)CC)n1)CC(C)(C)OC.
What is the InChIKey of N-ethyl-4-methoxy-4-methyl-1-(1-pentan-3-ylpyrazol-3-yl)pentan-2-amine?
The InChIKey is DSKGOAHDXIFRDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O/c1-7-16(8-2)20-11-10-14(19-20)12-15(18-9-3)13-17(4,5)21-6/h10-11,15-16,18H,7-9,12-13H2,1-6H3.
What are the key properties of N-ethyl-4-methoxy-4-methyl-1-(1-pentan-3-ylpyrazol-3-yl)pentan-2-amine?
N-ethyl-4-methoxy-4-methyl-1-(1-pentan-3-ylpyrazol-3-yl)pentan-2-amine has a molecular weight of 295.47 g/mol, XLogP of 3.58, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methoxy-4-methyl-1-(1-pentan-3-ylpyrazol-3-yl)pentan-2-amine is sourced from PubChem (CID 103027345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).