2-cyclopropyl-3-[(1-pentan-3-ylpyrazol-3-yl)methyl]oxolan-3-amine

C16H27N3O — CID 104510350

IUPAC2-cyclopropyl-3-[(1-pentan-3-ylpyrazol-3-yl)methyl]oxolan-3-amine
SMILESCCC(CC)n1ccc(CC2(N)CCOC2C2CC2)n1
InChIInChI=1S/C16H27N3O/c1-3-14(4-2)19-9-7-13(18-19)11-16(17)8-10-20-15(16)12-5-6-12/h7,9,12,14-15H,3-6,8,10-11,17H2,1-2H3
InChIKeyXAILXGDGILCTQP-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.68
Rot. Bonds6

About 2-cyclopropyl-3-[(1-pentan-3-ylpyrazol-3-yl)methyl]oxolan-3-amine

2-cyclopropyl-3-[(1-pentan-3-ylpyrazol-3-yl)methyl]oxolan-3-amine (PubChem CID 104510350) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-cyclopropyl-3-[(1-pentan-3-ylpyrazol-3-yl)methyl]oxolan-3-amine.

Molecular Properties

Compound Name2-cyclopropyl-3-[(1-pentan-3-ylpyrazol-3-yl)methyl]oxolan-3-amine
PubChem CID104510350
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name2-cyclopropyl-3-[(1-pentan-3-ylpyrazol-3-yl)methyl]oxolan-3-amine
SMILESCCC(CC)n1ccc(CC2(N)CCOC2C2CC2)n1
InChIInChI=1S/C16H27N3O/c1-3-14(4-2)19-9-7-13(18-19)11-16(17)8-10-20-15(16)12-5-6-12/h7,9,12,14-15H,3-6,8,10-11,17H2,1-2H3
InChIKeyXAILXGDGILCTQP-UHFFFAOYSA-N
XLogP2.68
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-[(1-pentan-3-ylpyrazol-3-yl)methyl]oxolan-3-amine?
The IUPAC name of 2-cyclopropyl-3-[(1-pentan-3-ylpyrazol-3-yl)methyl]oxolan-3-amine (CID 104510350) is 2-cyclopropyl-3-[(1-pentan-3-ylpyrazol-3-yl)methyl]oxolan-3-amine.
What is the SMILES notation for 2-cyclopropyl-3-[(1-pentan-3-ylpyrazol-3-yl)methyl]oxolan-3-amine?
The canonical SMILES for 2-cyclopropyl-3-[(1-pentan-3-ylpyrazol-3-yl)methyl]oxolan-3-amine is CCC(CC)n1ccc(CC2(N)CCOC2C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-3-[(1-pentan-3-ylpyrazol-3-yl)methyl]oxolan-3-amine?
The InChIKey is XAILXGDGILCTQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-3-14(4-2)19-9-7-13(18-19)11-16(17)8-10-20-15(16)12-5-6-12/h7,9,12,14-15H,3-6,8,10-11,17H2,1-2H3.
What are the key properties of 2-cyclopropyl-3-[(1-pentan-3-ylpyrazol-3-yl)methyl]oxolan-3-amine?
2-cyclopropyl-3-[(1-pentan-3-ylpyrazol-3-yl)methyl]oxolan-3-amine has a molecular weight of 277.41 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-[(1-pentan-3-ylpyrazol-3-yl)methyl]oxolan-3-amine is sourced from PubChem (CID 104510350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).