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

C16H31N3O — CID 116720461

IUPAC1-(3-ethyl-1-methylpyrazol-5-yl)-3-methoxy-4-methyl-N-propylpentan-2-amine
SMILESCCCNC(Cc1cc(CC)nn1C)C(OC)C(C)C
InChIInChI=1S/C16H31N3O/c1-7-9-17-15(16(20-6)12(3)4)11-14-10-13(8-2)18-19(14)5/h10,12,15-17H,7-9,11H2,1-6H3
InChIKeyHKVQJUMSRUSWBY-UHFFFAOYSA-N
MW281.44 g/mol
LogP2.56
Rot. Bonds9

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

1-(3-ethyl-1-methylpyrazol-5-yl)-3-methoxy-4-methyl-N-propylpentan-2-amine (PubChem CID 116720461) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 1-(3-ethyl-1-methylpyrazol-5-yl)-3-methoxy-4-methyl-N-propylpentan-2-amine.

Molecular Properties

Compound Name1-(3-ethyl-1-methylpyrazol-5-yl)-3-methoxy-4-methyl-N-propylpentan-2-amine
PubChem CID116720461
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name1-(3-ethyl-1-methylpyrazol-5-yl)-3-methoxy-4-methyl-N-propylpentan-2-amine
SMILESCCCNC(Cc1cc(CC)nn1C)C(OC)C(C)C
InChIInChI=1S/C16H31N3O/c1-7-9-17-15(16(20-6)12(3)4)11-14-10-13(8-2)18-19(14)5/h10,12,15-17H,7-9,11H2,1-6H3
InChIKeyHKVQJUMSRUSWBY-UHFFFAOYSA-N
XLogP2.56
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 ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-ethyl-1-methylpyrazol-5-yl)-N,3-dipropylhexan-2-amine
CID 104999036
3-ethoxy-1-(3-ethyl-1-methylpyrazol-5-yl)-N,4-dimethylpentan-2-amine
CID 116721025
N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)-3-methoxy-4,4-dimethylpentan-2-amine
CID 116724637
3-methoxy-4-methyl-1-(1-propan-2-ylpyrazol-3-yl)-N-propylpentan-2-amine
CID 116720670
1-(3-ethyl-1-methylpyrazol-5-yl)-N-propylpent-4-en-2-amine
CID 116660904
1-cyclopropyl-N-ethyl-3-(3-ethyl-1-methylpyrazol-5-yl)-1-methoxypropan-2-amine
CID 116722404
N-[1-(6-bicyclo[3.1.0]hexanyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethyl]propan-1-amine
CID 104999026
[1-(2,5-dimethylpyrazol-3-yl)-3-methoxy-4-methylpentan-2-yl]hydrazine
CID 105272137
3-methoxy-4-methyl-1-phenyl-N-propylpentan-2-amine
CID 116720474
1-(3-ethyl-1-methylpyrazol-5-yl)-3-methoxyhexan-2-amine
CID 116718430
3-cyclopropyl-N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)butan-2-amine
CID 104999070
N-[2-(3-ethyl-1-methylpyrazol-5-yl)-1-pyridazin-4-ylethyl]propan-1-amine
CID 105160172

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-1-methylpyrazol-5-yl)-3-methoxy-4-methyl-N-propylpentan-2-amine?
The IUPAC name of 1-(3-ethyl-1-methylpyrazol-5-yl)-3-methoxy-4-methyl-N-propylpentan-2-amine (CID 116720461) is 1-(3-ethyl-1-methylpyrazol-5-yl)-3-methoxy-4-methyl-N-propylpentan-2-amine.
What is the SMILES notation for 1-(3-ethyl-1-methylpyrazol-5-yl)-3-methoxy-4-methyl-N-propylpentan-2-amine?
The canonical SMILES for 1-(3-ethyl-1-methylpyrazol-5-yl)-3-methoxy-4-methyl-N-propylpentan-2-amine is CCCNC(Cc1cc(CC)nn1C)C(OC)C(C)C.
What is the InChIKey of 1-(3-ethyl-1-methylpyrazol-5-yl)-3-methoxy-4-methyl-N-propylpentan-2-amine?
The InChIKey is HKVQJUMSRUSWBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-7-9-17-15(16(20-6)12(3)4)11-14-10-13(8-2)18-19(14)5/h10,12,15-17H,7-9,11H2,1-6H3.
What are the key properties of 1-(3-ethyl-1-methylpyrazol-5-yl)-3-methoxy-4-methyl-N-propylpentan-2-amine?
1-(3-ethyl-1-methylpyrazol-5-yl)-3-methoxy-4-methyl-N-propylpentan-2-amine has a molecular weight of 281.44 g/mol, XLogP of 2.56, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-1-methylpyrazol-5-yl)-3-methoxy-4-methyl-N-propylpentan-2-amine is sourced from PubChem (CID 116720461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).