3-methoxy-4-methyl-1-(1-propan-2-ylpyrazol-3-yl)-N-propylpentan-2-amine

C16H31N3O — CID 116720670

IUPAC3-methoxy-4-methyl-1-(1-propan-2-ylpyrazol-3-yl)-N-propylpentan-2-amine
SMILESCCCNC(Cc1ccn(C(C)C)n1)C(OC)C(C)C
InChIInChI=1S/C16H31N3O/c1-7-9-17-15(16(20-6)12(2)3)11-14-8-10-19(18-14)13(4)5/h8,10,12-13,15-17H,7,9,11H2,1-6H3
InChIKeyQKRSULQFZIXCOC-UHFFFAOYSA-N
MW281.44 g/mol
LogP3.05
Rot. Bonds9

About 3-methoxy-4-methyl-1-(1-propan-2-ylpyrazol-3-yl)-N-propylpentan-2-amine

3-methoxy-4-methyl-1-(1-propan-2-ylpyrazol-3-yl)-N-propylpentan-2-amine (PubChem CID 116720670) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 3-methoxy-4-methyl-1-(1-propan-2-ylpyrazol-3-yl)-N-propylpentan-2-amine.

Molecular Properties

Compound Name3-methoxy-4-methyl-1-(1-propan-2-ylpyrazol-3-yl)-N-propylpentan-2-amine
PubChem CID116720670
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name3-methoxy-4-methyl-1-(1-propan-2-ylpyrazol-3-yl)-N-propylpentan-2-amine
SMILESCCCNC(Cc1ccn(C(C)C)n1)C(OC)C(C)C
InChIInChI=1S/C16H31N3O/c1-7-9-17-15(16(20-6)12(2)3)11-14-8-10-19(18-14)13(4)5/h8,10,12-13,15-17H,7,9,11H2,1-6H3
InChIKeyQKRSULQFZIXCOC-UHFFFAOYSA-N
XLogP3.05
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethoxy-N-ethyl-4-methyl-1-(1-propan-2-ylpyrazol-3-yl)pentan-2-amine
CID 116721524
3-methoxy-1-(1-pentan-3-ylpyrazol-3-yl)-N-propylpentan-2-amine
CID 116716177
1-(1-propan-2-ylpyrazol-3-yl)-N-propylpentan-2-amine
CID 64771198
1-(1-butan-2-ylpyrazol-3-yl)-3-methoxy-N-propylhexan-2-amine
CID 116719573
N-[2-(1-propan-2-ylpyrazol-3-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethyl]propan-1-amine
CID 104990204
1-(3-ethyl-1-methylpyrazol-5-yl)-3-methoxy-4-methyl-N-propylpentan-2-amine
CID 116720461
3-methoxy-4-methyl-1-phenyl-N-propylpentan-2-amine
CID 116720474
[3-methoxy-1-(1-propan-2-ylpyrazol-3-yl)hexan-2-yl]hydrazine
CID 105271606
1-(1-propan-2-ylpyrazol-3-yl)-3-propoxy-N-propylpropan-2-amine
CID 64771213
3-ethoxy-1-(1-pentan-3-ylpyrazol-3-yl)-N-propylbutan-2-amine
CID 64779415
1-(4-bromophenyl)-3-methoxy-4-methyl-N-propylpentan-2-amine
CID 116720568
1-(1-butan-2-ylpyrazol-3-yl)-3-methyl-N-propylhexan-2-amine
CID 104989878

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-methyl-1-(1-propan-2-ylpyrazol-3-yl)-N-propylpentan-2-amine?
The IUPAC name of 3-methoxy-4-methyl-1-(1-propan-2-ylpyrazol-3-yl)-N-propylpentan-2-amine (CID 116720670) is 3-methoxy-4-methyl-1-(1-propan-2-ylpyrazol-3-yl)-N-propylpentan-2-amine.
What is the SMILES notation for 3-methoxy-4-methyl-1-(1-propan-2-ylpyrazol-3-yl)-N-propylpentan-2-amine?
The canonical SMILES for 3-methoxy-4-methyl-1-(1-propan-2-ylpyrazol-3-yl)-N-propylpentan-2-amine is CCCNC(Cc1ccn(C(C)C)n1)C(OC)C(C)C.
What is the InChIKey of 3-methoxy-4-methyl-1-(1-propan-2-ylpyrazol-3-yl)-N-propylpentan-2-amine?
The InChIKey is QKRSULQFZIXCOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-7-9-17-15(16(20-6)12(2)3)11-14-8-10-19(18-14)13(4)5/h8,10,12-13,15-17H,7,9,11H2,1-6H3.
What are the key properties of 3-methoxy-4-methyl-1-(1-propan-2-ylpyrazol-3-yl)-N-propylpentan-2-amine?
3-methoxy-4-methyl-1-(1-propan-2-ylpyrazol-3-yl)-N-propylpentan-2-amine has a molecular weight of 281.44 g/mol, XLogP of 3.05, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-methyl-1-(1-propan-2-ylpyrazol-3-yl)-N-propylpentan-2-amine is sourced from PubChem (CID 116720670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).