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

C15H29N3O — CID 105185155

IUPAC1-(3-ethyl-1-methylpyrazol-5-yl)-4-methoxy-2-methyl-N-propylbutan-1-amine
SMILESCCCNC(c1cc(CC)nn1C)C(C)CCOC
InChIInChI=1S/C15H29N3O/c1-6-9-16-15(12(3)8-10-19-5)14-11-13(7-2)17-18(14)4/h11-12,15-16H,6-10H2,1-5H3
InChIKeyCGWZOODSQYHFGN-UHFFFAOYSA-N
MW267.42 g/mol
LogP2.70
Rot. Bonds9

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

1-(3-ethyl-1-methylpyrazol-5-yl)-4-methoxy-2-methyl-N-propylbutan-1-amine (PubChem CID 105185155) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 1-(3-ethyl-1-methylpyrazol-5-yl)-4-methoxy-2-methyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-(3-ethyl-1-methylpyrazol-5-yl)-4-methoxy-2-methyl-N-propylbutan-1-amine
PubChem CID105185155
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name1-(3-ethyl-1-methylpyrazol-5-yl)-4-methoxy-2-methyl-N-propylbutan-1-amine
SMILESCCCNC(c1cc(CC)nn1C)C(C)CCOC
InChIInChI=1S/C15H29N3O/c1-6-9-16-15(12(3)8-10-19-5)14-11-13(7-2)17-18(14)4/h11-12,15-16H,6-10H2,1-5H3
InChIKeyCGWZOODSQYHFGN-UHFFFAOYSA-N
XLogP2.70
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,3-diethylpyrazol-5-yl)-4-methoxy-2-methyl-N-propylbutan-1-amine
CID 105185039
1-(3-ethyl-1-methylpyrazol-4-yl)-4-methoxy-2-methyl-N-propylbutan-1-amine
CID 102812867
1-(3-ethyl-1-methylpyrazol-5-yl)-N-propylprop-2-yn-1-amine
CID 105158441
1-(3-ethyl-1-methylpyrazol-5-yl)-2-methylbutan-1-ol
CID 105116539
1-(5-methoxy-1-methylpyrazol-3-yl)-2-methyl-N-propylbutan-1-amine
CID 114255501
4-methoxy-1-(4-methoxythiophen-2-yl)-2-methyl-N-propylbutan-1-amine
CID 105044507
2-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylbutan-1-amine
CID 105168439
1-(3-ethyl-1-methylpyrazol-5-yl)-3-(1-methylimidazol-2-yl)-N-propylpropan-1-amine
CID 105187793
N-[1-(3-ethyl-1-methylpyrazol-5-yl)-2-(3-methylphenyl)ethyl]propan-1-amine
CID 105091416
1-(3-ethyl-1-methylpyrazol-5-yl)-3-(2-methylpyrazol-3-yl)-N-propylpropan-1-amine
CID 103030885
1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-2-methylpentan-1-amine
CID 107893826
1-(1,3-diethylpyrazol-5-yl)-5-methyl-N-propylhexan-1-amine
CID 105177082

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-1-methylpyrazol-5-yl)-4-methoxy-2-methyl-N-propylbutan-1-amine?
The IUPAC name of 1-(3-ethyl-1-methylpyrazol-5-yl)-4-methoxy-2-methyl-N-propylbutan-1-amine (CID 105185155) is 1-(3-ethyl-1-methylpyrazol-5-yl)-4-methoxy-2-methyl-N-propylbutan-1-amine.
What is the SMILES notation for 1-(3-ethyl-1-methylpyrazol-5-yl)-4-methoxy-2-methyl-N-propylbutan-1-amine?
The canonical SMILES for 1-(3-ethyl-1-methylpyrazol-5-yl)-4-methoxy-2-methyl-N-propylbutan-1-amine is CCCNC(c1cc(CC)nn1C)C(C)CCOC.
What is the InChIKey of 1-(3-ethyl-1-methylpyrazol-5-yl)-4-methoxy-2-methyl-N-propylbutan-1-amine?
The InChIKey is CGWZOODSQYHFGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-6-9-16-15(12(3)8-10-19-5)14-11-13(7-2)17-18(14)4/h11-12,15-16H,6-10H2,1-5H3.
What are the key properties of 1-(3-ethyl-1-methylpyrazol-5-yl)-4-methoxy-2-methyl-N-propylbutan-1-amine?
1-(3-ethyl-1-methylpyrazol-5-yl)-4-methoxy-2-methyl-N-propylbutan-1-amine has a molecular weight of 267.42 g/mol, XLogP of 2.70, 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)-4-methoxy-2-methyl-N-propylbutan-1-amine is sourced from PubChem (CID 105185155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).