2-cyclobutyl-N-ethyl-1-(4-methoxy-1-propylpyrazol-5-yl)ethanamine

C15H27N3O — CID 103169677

IUPAC2-cyclobutyl-N-ethyl-1-(4-methoxy-1-propylpyrazol-5-yl)ethanamine
SMILESCCCn1ncc(OC)c1C(CC1CCC1)NCC
InChIInChI=1S/C15H27N3O/c1-4-9-18-15(14(19-3)11-17-18)13(16-5-2)10-12-7-6-8-12/h11-13,16H,4-10H2,1-3H3
InChIKeyIPCBUGBDBASZKJ-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.14
Rot. Bonds8

About 2-cyclobutyl-N-ethyl-1-(4-methoxy-1-propylpyrazol-5-yl)ethanamine

2-cyclobutyl-N-ethyl-1-(4-methoxy-1-propylpyrazol-5-yl)ethanamine (PubChem CID 103169677) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-cyclobutyl-N-ethyl-1-(4-methoxy-1-propylpyrazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-cyclobutyl-N-ethyl-1-(4-methoxy-1-propylpyrazol-5-yl)ethanamine
PubChem CID103169677
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name2-cyclobutyl-N-ethyl-1-(4-methoxy-1-propylpyrazol-5-yl)ethanamine
SMILESCCCn1ncc(OC)c1C(CC1CCC1)NCC
InChIInChI=1S/C15H27N3O/c1-4-9-18-15(14(19-3)11-17-18)13(16-5-2)10-12-7-6-8-12/h11-13,16H,4-10H2,1-3H3
InChIKeyIPCBUGBDBASZKJ-UHFFFAOYSA-N
XLogP3.14
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-N-ethyl-1-(4-methoxy-1-propylpyrazol-5-yl)ethanamine?
The IUPAC name of 2-cyclobutyl-N-ethyl-1-(4-methoxy-1-propylpyrazol-5-yl)ethanamine (CID 103169677) is 2-cyclobutyl-N-ethyl-1-(4-methoxy-1-propylpyrazol-5-yl)ethanamine.
What is the SMILES notation for 2-cyclobutyl-N-ethyl-1-(4-methoxy-1-propylpyrazol-5-yl)ethanamine?
The canonical SMILES for 2-cyclobutyl-N-ethyl-1-(4-methoxy-1-propylpyrazol-5-yl)ethanamine is CCCn1ncc(OC)c1C(CC1CCC1)NCC.
What is the InChIKey of 2-cyclobutyl-N-ethyl-1-(4-methoxy-1-propylpyrazol-5-yl)ethanamine?
The InChIKey is IPCBUGBDBASZKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-4-9-18-15(14(19-3)11-17-18)13(16-5-2)10-12-7-6-8-12/h11-13,16H,4-10H2,1-3H3.
What are the key properties of 2-cyclobutyl-N-ethyl-1-(4-methoxy-1-propylpyrazol-5-yl)ethanamine?
2-cyclobutyl-N-ethyl-1-(4-methoxy-1-propylpyrazol-5-yl)ethanamine has a molecular weight of 265.40 g/mol, XLogP of 3.14, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-N-ethyl-1-(4-methoxy-1-propylpyrazol-5-yl)ethanamine is sourced from PubChem (CID 103169677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).