1-(1,3-diethylpyrazol-5-yl)-4-methoxy-2-methyl-N-propylbutan-1-amine

C16H31N3O — CID 105185039

IUPAC1-(1,3-diethylpyrazol-5-yl)-4-methoxy-2-methyl-N-propylbutan-1-amine
SMILESCCCNC(c1cc(CC)nn1CC)C(C)CCOC
InChIInChI=1S/C16H31N3O/c1-6-10-17-16(13(4)9-11-20-5)15-12-14(7-2)18-19(15)8-3/h12-13,16-17H,6-11H2,1-5H3
InChIKeyGUYFKMUZZXYPGM-UHFFFAOYSA-N
MW281.44 g/mol
LogP3.18
Rot. Bonds10

About 1-(1,3-diethylpyrazol-5-yl)-4-methoxy-2-methyl-N-propylbutan-1-amine

1-(1,3-diethylpyrazol-5-yl)-4-methoxy-2-methyl-N-propylbutan-1-amine (PubChem CID 105185039) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 1-(1,3-diethylpyrazol-5-yl)-4-methoxy-2-methyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-(1,3-diethylpyrazol-5-yl)-4-methoxy-2-methyl-N-propylbutan-1-amine
PubChem CID105185039
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name1-(1,3-diethylpyrazol-5-yl)-4-methoxy-2-methyl-N-propylbutan-1-amine
SMILESCCCNC(c1cc(CC)nn1CC)C(C)CCOC
InChIInChI=1S/C16H31N3O/c1-6-10-17-16(13(4)9-11-20-5)15-12-14(7-2)18-19(15)8-3/h12-13,16-17H,6-11H2,1-5H3
InChIKeyGUYFKMUZZXYPGM-UHFFFAOYSA-N
XLogP3.18
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 ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-ethyl-1-methylpyrazol-5-yl)-4-methoxy-2-methyl-N-propylbutan-1-amine
CID 105185155
1-(1,3-diethylpyrazol-5-yl)-5-methyl-N-propylhexan-1-amine
CID 105177082
1-(3-ethyl-1-methylpyrazol-4-yl)-4-methoxy-2-methyl-N-propylbutan-1-amine
CID 102812867
N-[cyclopropyl-(1,3-diethylpyrazol-5-yl)methyl]propan-1-amine
CID 105157194
1,3-diethyl-5-propan-2-ylpyrazole
CID 118564106
1-(1,3-diethylpyrazol-5-yl)-5,5,5-trifluoro-N-propylpentan-1-amine
CID 105174359
N-[cyclohexyl-(1,3-diethylpyrazol-5-yl)methyl]propan-1-amine
CID 105079721
N-[(2-chlorophenyl)-(1,3-diethylpyrazol-5-yl)methyl]propan-1-amine
CID 105099735
N-[(1,3-diethylpyrazol-5-yl)-(2-fluorophenyl)methyl]propan-1-amine
CID 105119622
4-methoxy-1-(4-methoxythiophen-2-yl)-2-methyl-N-propylbutan-1-amine
CID 105044507
N-[2-cyclohexyl-1-(1,3-diethylpyrazol-5-yl)ethyl]propan-1-amine
CID 105135714
N-[(1,3-diethylpyrazol-5-yl)-(1-ethylpyrazol-4-yl)methyl]propan-1-amine
CID 105109029

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-diethylpyrazol-5-yl)-4-methoxy-2-methyl-N-propylbutan-1-amine?
The IUPAC name of 1-(1,3-diethylpyrazol-5-yl)-4-methoxy-2-methyl-N-propylbutan-1-amine (CID 105185039) is 1-(1,3-diethylpyrazol-5-yl)-4-methoxy-2-methyl-N-propylbutan-1-amine.
What is the SMILES notation for 1-(1,3-diethylpyrazol-5-yl)-4-methoxy-2-methyl-N-propylbutan-1-amine?
The canonical SMILES for 1-(1,3-diethylpyrazol-5-yl)-4-methoxy-2-methyl-N-propylbutan-1-amine is CCCNC(c1cc(CC)nn1CC)C(C)CCOC.
What is the InChIKey of 1-(1,3-diethylpyrazol-5-yl)-4-methoxy-2-methyl-N-propylbutan-1-amine?
The InChIKey is GUYFKMUZZXYPGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-6-10-17-16(13(4)9-11-20-5)15-12-14(7-2)18-19(15)8-3/h12-13,16-17H,6-11H2,1-5H3.
What are the key properties of 1-(1,3-diethylpyrazol-5-yl)-4-methoxy-2-methyl-N-propylbutan-1-amine?
1-(1,3-diethylpyrazol-5-yl)-4-methoxy-2-methyl-N-propylbutan-1-amine has a molecular weight of 281.44 g/mol, XLogP of 3.18, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-diethylpyrazol-5-yl)-4-methoxy-2-methyl-N-propylbutan-1-amine is sourced from PubChem (CID 105185039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).