N-ethyl-1-[1-(3-methoxy-3-methylbutyl)-3,5-dimethylpyrazol-4-yl]propan-1-amine

C16H31N3O — CID 103037035

IUPACN-ethyl-1-[1-(3-methoxy-3-methylbutyl)-3,5-dimethylpyrazol-4-yl]propan-1-amine
SMILESCCNC(CC)c1c(C)nn(CCC(C)(C)OC)c1C
InChIInChI=1S/C16H31N3O/c1-8-14(17-9-2)15-12(3)18-19(13(15)4)11-10-16(5,6)20-7/h14,17H,8-11H2,1-7H3
InChIKeyFWHOMDQQNAWJRO-UHFFFAOYSA-N
MW281.44 g/mol
LogP3.38
Rot. Bonds8

About N-ethyl-1-[1-(3-methoxy-3-methylbutyl)-3,5-dimethylpyrazol-4-yl]propan-1-amine

N-ethyl-1-[1-(3-methoxy-3-methylbutyl)-3,5-dimethylpyrazol-4-yl]propan-1-amine (PubChem CID 103037035) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is N-ethyl-1-[1-(3-methoxy-3-methylbutyl)-3,5-dimethylpyrazol-4-yl]propan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-[1-(3-methoxy-3-methylbutyl)-3,5-dimethylpyrazol-4-yl]propan-1-amine
PubChem CID103037035
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC NameN-ethyl-1-[1-(3-methoxy-3-methylbutyl)-3,5-dimethylpyrazol-4-yl]propan-1-amine
SMILESCCNC(CC)c1c(C)nn(CCC(C)(C)OC)c1C
InChIInChI=1S/C16H31N3O/c1-8-14(17-9-2)15-12(3)18-19(13(15)4)11-10-16(5,6)20-7/h14,17H,8-11H2,1-7H3
InChIKeyFWHOMDQQNAWJRO-UHFFFAOYSA-N
XLogP3.38
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[1-(3-methoxy-3-methylbutyl)-3,5-dimethylpyrazol-4-yl]propan-1-amine?
The IUPAC name of N-ethyl-1-[1-(3-methoxy-3-methylbutyl)-3,5-dimethylpyrazol-4-yl]propan-1-amine (CID 103037035) is N-ethyl-1-[1-(3-methoxy-3-methylbutyl)-3,5-dimethylpyrazol-4-yl]propan-1-amine.
What is the SMILES notation for N-ethyl-1-[1-(3-methoxy-3-methylbutyl)-3,5-dimethylpyrazol-4-yl]propan-1-amine?
The canonical SMILES for N-ethyl-1-[1-(3-methoxy-3-methylbutyl)-3,5-dimethylpyrazol-4-yl]propan-1-amine is CCNC(CC)c1c(C)nn(CCC(C)(C)OC)c1C.
What is the InChIKey of N-ethyl-1-[1-(3-methoxy-3-methylbutyl)-3,5-dimethylpyrazol-4-yl]propan-1-amine?
The InChIKey is FWHOMDQQNAWJRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-8-14(17-9-2)15-12(3)18-19(13(15)4)11-10-16(5,6)20-7/h14,17H,8-11H2,1-7H3.
What are the key properties of N-ethyl-1-[1-(3-methoxy-3-methylbutyl)-3,5-dimethylpyrazol-4-yl]propan-1-amine?
N-ethyl-1-[1-(3-methoxy-3-methylbutyl)-3,5-dimethylpyrazol-4-yl]propan-1-amine has a molecular weight of 281.44 g/mol, XLogP of 3.38, 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-(3-methoxy-3-methylbutyl)-3,5-dimethylpyrazol-4-yl]propan-1-amine is sourced from PubChem (CID 103037035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).