1-(5-methyloxolan-2-yl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine

C15H27N3O — CID 103029627

IUPAC1-(5-methyloxolan-2-yl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine
SMILESCCCNC(CCc1cnn(C)c1)C1CCC(C)O1
InChIInChI=1S/C15H27N3O/c1-4-9-16-14(15-8-5-12(2)19-15)7-6-13-10-17-18(3)11-13/h10-12,14-16H,4-9H2,1-3H3
InChIKeyAGLHTKLLIPQXCP-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.29
Rot. Bonds7

About 1-(5-methyloxolan-2-yl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine

1-(5-methyloxolan-2-yl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine (PubChem CID 103029627) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-(5-methyloxolan-2-yl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(5-methyloxolan-2-yl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine
PubChem CID103029627
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name1-(5-methyloxolan-2-yl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine
SMILESCCCNC(CCc1cnn(C)c1)C1CCC(C)O1
InChIInChI=1S/C15H27N3O/c1-4-9-16-14(15-8-5-12(2)19-15)7-6-13-10-17-18(3)11-13/h10-12,14-16H,4-9H2,1-3H3
InChIKeyAGLHTKLLIPQXCP-UHFFFAOYSA-N
XLogP2.29
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methyloxolan-2-yl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine?
The IUPAC name of 1-(5-methyloxolan-2-yl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine (CID 103029627) is 1-(5-methyloxolan-2-yl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine.
What is the SMILES notation for 1-(5-methyloxolan-2-yl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine?
The canonical SMILES for 1-(5-methyloxolan-2-yl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine is CCCNC(CCc1cnn(C)c1)C1CCC(C)O1.
What is the InChIKey of 1-(5-methyloxolan-2-yl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine?
The InChIKey is AGLHTKLLIPQXCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-4-9-16-14(15-8-5-12(2)19-15)7-6-13-10-17-18(3)11-13/h10-12,14-16H,4-9H2,1-3H3.
What are the key properties of 1-(5-methyloxolan-2-yl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine?
1-(5-methyloxolan-2-yl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine has a molecular weight of 265.40 g/mol, XLogP of 2.29, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyloxolan-2-yl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine is sourced from PubChem (CID 103029627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).