1-(1,3-diethylpyrazol-5-yl)-N-ethyl-4-methoxy-4-methylpentan-1-amine

C16H31N3O — CID 103031441

IUPAC1-(1,3-diethylpyrazol-5-yl)-N-ethyl-4-methoxy-4-methylpentan-1-amine
SMILESCCNC(CCC(C)(C)OC)c1cc(CC)nn1CC
InChIInChI=1S/C16H31N3O/c1-7-13-12-15(19(9-3)18-13)14(17-8-2)10-11-16(4,5)20-6/h12,14,17H,7-11H2,1-6H3
InChIKeyHCKVCMSHXTYSKU-UHFFFAOYSA-N
MW281.44 g/mol
LogP3.32
Rot. Bonds9

About 1-(1,3-diethylpyrazol-5-yl)-N-ethyl-4-methoxy-4-methylpentan-1-amine

1-(1,3-diethylpyrazol-5-yl)-N-ethyl-4-methoxy-4-methylpentan-1-amine (PubChem CID 103031441) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 1-(1,3-diethylpyrazol-5-yl)-N-ethyl-4-methoxy-4-methylpentan-1-amine.

Molecular Properties

Compound Name1-(1,3-diethylpyrazol-5-yl)-N-ethyl-4-methoxy-4-methylpentan-1-amine
PubChem CID103031441
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name1-(1,3-diethylpyrazol-5-yl)-N-ethyl-4-methoxy-4-methylpentan-1-amine
SMILESCCNC(CCC(C)(C)OC)c1cc(CC)nn1CC
InChIInChI=1S/C16H31N3O/c1-7-13-12-15(19(9-3)18-13)14(17-8-2)10-11-16(4,5)20-6/h12,14,17H,7-11H2,1-6H3
InChIKeyHCKVCMSHXTYSKU-UHFFFAOYSA-N
XLogP3.32
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 ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-diethylpyrazol-5-yl)-N-ethyl-4-methoxy-4-methylpentan-1-amine?
The IUPAC name of 1-(1,3-diethylpyrazol-5-yl)-N-ethyl-4-methoxy-4-methylpentan-1-amine (CID 103031441) is 1-(1,3-diethylpyrazol-5-yl)-N-ethyl-4-methoxy-4-methylpentan-1-amine.
What is the SMILES notation for 1-(1,3-diethylpyrazol-5-yl)-N-ethyl-4-methoxy-4-methylpentan-1-amine?
The canonical SMILES for 1-(1,3-diethylpyrazol-5-yl)-N-ethyl-4-methoxy-4-methylpentan-1-amine is CCNC(CCC(C)(C)OC)c1cc(CC)nn1CC.
What is the InChIKey of 1-(1,3-diethylpyrazol-5-yl)-N-ethyl-4-methoxy-4-methylpentan-1-amine?
The InChIKey is HCKVCMSHXTYSKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-7-13-12-15(19(9-3)18-13)14(17-8-2)10-11-16(4,5)20-6/h12,14,17H,7-11H2,1-6H3.
What are the key properties of 1-(1,3-diethylpyrazol-5-yl)-N-ethyl-4-methoxy-4-methylpentan-1-amine?
1-(1,3-diethylpyrazol-5-yl)-N-ethyl-4-methoxy-4-methylpentan-1-amine has a molecular weight of 281.44 g/mol, XLogP of 3.32, 9 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)-N-ethyl-4-methoxy-4-methylpentan-1-amine is sourced from PubChem (CID 103031441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).