1-(1,3-diethylpyrazol-5-yl)-5-methyl-N-propylhexan-1-amine

C17H33N3 — CID 105177082

IUPAC1-(1,3-diethylpyrazol-5-yl)-5-methyl-N-propylhexan-1-amine
SMILESCCCNC(CCCC(C)C)c1cc(CC)nn1CC
InChIInChI=1S/C17H33N3/c1-6-12-18-16(11-9-10-14(4)5)17-13-15(7-2)19-20(17)8-3/h13-14,16,18H,6-12H2,1-5H3
InChIKeyUHUSZYVZNUSGEV-UHFFFAOYSA-N
MW279.47 g/mol
LogP4.33
Rot. Bonds10

About 1-(1,3-diethylpyrazol-5-yl)-5-methyl-N-propylhexan-1-amine

1-(1,3-diethylpyrazol-5-yl)-5-methyl-N-propylhexan-1-amine (PubChem CID 105177082) has the molecular formula C17H33N3 and a molecular weight of 279.47 g/mol. Its IUPAC name is 1-(1,3-diethylpyrazol-5-yl)-5-methyl-N-propylhexan-1-amine.

Molecular Properties

Compound Name1-(1,3-diethylpyrazol-5-yl)-5-methyl-N-propylhexan-1-amine
PubChem CID105177082
Molecular FormulaC17H33N3
Molecular Weight279.47 g/mol
Exact Mass279.27
IUPAC Name1-(1,3-diethylpyrazol-5-yl)-5-methyl-N-propylhexan-1-amine
SMILESCCCNC(CCCC(C)C)c1cc(CC)nn1CC
InChIInChI=1S/C17H33N3/c1-6-12-18-16(11-9-10-14(4)5)17-13-15(7-2)19-20(17)8-3/h13-14,16,18H,6-12H2,1-5H3
InChIKeyUHUSZYVZNUSGEV-UHFFFAOYSA-N
XLogP4.33
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,3-diethylpyrazol-5-yl)-5,5,5-trifluoro-N-propylpentan-1-amine
CID 105174359
1-(1,3-diethylpyrazol-5-yl)-N-ethylnonan-1-amine
CID 105127926
1-(1,3-diethylpyrazol-5-yl)-N,3-dimethylbutan-1-amine
CID 105082907
N-[2-cyclohexyl-1-(1,3-diethylpyrazol-5-yl)ethyl]propan-1-amine
CID 105135714
1-(1,3-diethylpyrazol-5-yl)-4-methoxy-2-methyl-N-propylbutan-1-amine
CID 105185039
N-[cyclopropyl-(1,3-diethylpyrazol-5-yl)methyl]propan-1-amine
CID 105157194
1-(1,3-diethylpyrazol-5-yl)-N-methyl-4-methylsulfonylbutan-1-amine
CID 105112856
1,3-diethyl-5-propan-2-ylpyrazole
CID 118564106
N-[cyclohexyl-(1,3-diethylpyrazol-5-yl)methyl]propan-1-amine
CID 105079721
1-(1,3-diethylpyrazol-5-yl)-N-ethylpent-4-yn-1-amine
CID 105149069
N-[(1,3-diethylpyrazol-5-yl)-(1-ethylpyrazol-4-yl)methyl]propan-1-amine
CID 105109029
N-[(1,3-diethylpyrazol-5-yl)-(1-ethylimidazol-2-yl)methyl]propan-1-amine
CID 105149786

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-diethylpyrazol-5-yl)-5-methyl-N-propylhexan-1-amine?
The IUPAC name of 1-(1,3-diethylpyrazol-5-yl)-5-methyl-N-propylhexan-1-amine (CID 105177082) is 1-(1,3-diethylpyrazol-5-yl)-5-methyl-N-propylhexan-1-amine.
What is the SMILES notation for 1-(1,3-diethylpyrazol-5-yl)-5-methyl-N-propylhexan-1-amine?
The canonical SMILES for 1-(1,3-diethylpyrazol-5-yl)-5-methyl-N-propylhexan-1-amine is CCCNC(CCCC(C)C)c1cc(CC)nn1CC.
What is the InChIKey of 1-(1,3-diethylpyrazol-5-yl)-5-methyl-N-propylhexan-1-amine?
The InChIKey is UHUSZYVZNUSGEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3/c1-6-12-18-16(11-9-10-14(4)5)17-13-15(7-2)19-20(17)8-3/h13-14,16,18H,6-12H2,1-5H3.
What are the key properties of 1-(1,3-diethylpyrazol-5-yl)-5-methyl-N-propylhexan-1-amine?
1-(1,3-diethylpyrazol-5-yl)-5-methyl-N-propylhexan-1-amine has a molecular weight of 279.47 g/mol, XLogP of 4.33, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-diethylpyrazol-5-yl)-5-methyl-N-propylhexan-1-amine is sourced from PubChem (CID 105177082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).