N-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)-3,5,5-trimethylhexan-1-amine

C17H33N3O — CID 105047933

IUPACN-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)-3,5,5-trimethylhexan-1-amine
SMILESCCNC(CC(C)CC(C)(C)C)c1c(OC)cnn1CC
InChIInChI=1S/C17H33N3O/c1-8-18-14(10-13(3)11-17(4,5)6)16-15(21-7)12-19-20(16)9-2/h12-14,18H,8-11H2,1-7H3
InChIKeyZCBNXHGVLJXLTJ-UHFFFAOYSA-N
MW295.47 g/mol
LogP4.02
Rot. Bonds8

About N-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)-3,5,5-trimethylhexan-1-amine

N-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)-3,5,5-trimethylhexan-1-amine (PubChem CID 105047933) has the molecular formula C17H33N3O and a molecular weight of 295.47 g/mol. Its IUPAC name is N-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)-3,5,5-trimethylhexan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)-3,5,5-trimethylhexan-1-amine
PubChem CID105047933
Molecular FormulaC17H33N3O
Molecular Weight295.47 g/mol
Exact Mass295.26
IUPAC NameN-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)-3,5,5-trimethylhexan-1-amine
SMILESCCNC(CC(C)CC(C)(C)C)c1c(OC)cnn1CC
InChIInChI=1S/C17H33N3O/c1-8-18-14(10-13(3)11-17(4,5)6)16-15(21-7)12-19-20(16)9-2/h12-14,18H,8-11H2,1-7H3
InChIKeyZCBNXHGVLJXLTJ-UHFFFAOYSA-N
XLogP4.02
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-1-(4-methoxy-1-propylpyrazol-5-yl)-3,3-dimethylbutan-1-amine
CID 114651925
N-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methoxyethanamine
CID 114648667
N-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)-4,4,4-trifluorobutan-1-amine
CID 114658002
N-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)-2-propoxyethanamine
CID 114649117
4-ethoxy-N-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)butan-1-amine
CID 105186607
N-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103216379
N-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methoxy-2-methylbutan-1-amine
CID 114661573
2-(cyclohexen-1-yl)-N-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)ethanamine
CID 114660885
N-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methyl-3-methylsulfanylpropan-1-amine
CID 114222060
1-(4-bromo-1-ethylpyrazol-5-yl)-3,5,5-trimethylhexan-1-ol
CID 115834803
N-[1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methoxyethyl]propan-1-amine
CID 114648681
N-ethyl-1-(4-methoxy-1-propylpyrazol-5-yl)octan-1-amine
CID 105048951

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)-3,5,5-trimethylhexan-1-amine?
The IUPAC name of N-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)-3,5,5-trimethylhexan-1-amine (CID 105047933) is N-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)-3,5,5-trimethylhexan-1-amine.
What is the SMILES notation for N-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)-3,5,5-trimethylhexan-1-amine?
The canonical SMILES for N-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)-3,5,5-trimethylhexan-1-amine is CCNC(CC(C)CC(C)(C)C)c1c(OC)cnn1CC.
What is the InChIKey of N-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)-3,5,5-trimethylhexan-1-amine?
The InChIKey is ZCBNXHGVLJXLTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O/c1-8-18-14(10-13(3)11-17(4,5)6)16-15(21-7)12-19-20(16)9-2/h12-14,18H,8-11H2,1-7H3.
What are the key properties of N-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)-3,5,5-trimethylhexan-1-amine?
N-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)-3,5,5-trimethylhexan-1-amine has a molecular weight of 295.47 g/mol, XLogP of 4.02, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)-3,5,5-trimethylhexan-1-amine is sourced from PubChem (CID 105047933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).