N-[[3-[(1-propan-2-ylpyrazol-3-yl)methyl]oxolan-3-yl]methyl]propan-2-amine

C15H27N3O — CID 64771405

IUPACN-[[3-[(1-propan-2-ylpyrazol-3-yl)methyl]oxolan-3-yl]methyl]propan-2-amine
SMILESCC(C)NCC1(Cc2ccn(C(C)C)n2)CCOC1
InChIInChI=1S/C15H27N3O/c1-12(2)16-10-15(6-8-19-11-15)9-14-5-7-18(17-14)13(3)4/h5,7,12-13,16H,6,8-11H2,1-4H3
InChIKeyAWVIWZWINYRZOT-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.41
Rot. Bonds6

About N-[[3-[(1-propan-2-ylpyrazol-3-yl)methyl]oxolan-3-yl]methyl]propan-2-amine

N-[[3-[(1-propan-2-ylpyrazol-3-yl)methyl]oxolan-3-yl]methyl]propan-2-amine (PubChem CID 64771405) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is N-[[3-[(1-propan-2-ylpyrazol-3-yl)methyl]oxolan-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-[(1-propan-2-ylpyrazol-3-yl)methyl]oxolan-3-yl]methyl]propan-2-amine
PubChem CID64771405
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC NameN-[[3-[(1-propan-2-ylpyrazol-3-yl)methyl]oxolan-3-yl]methyl]propan-2-amine
SMILESCC(C)NCC1(Cc2ccn(C(C)C)n2)CCOC1
InChIInChI=1S/C15H27N3O/c1-12(2)16-10-15(6-8-19-11-15)9-14-5-7-18(17-14)13(3)4/h5,7,12-13,16H,6,8-11H2,1-4H3
InChIKeyAWVIWZWINYRZOT-UHFFFAOYSA-N
XLogP2.41
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[(1-propan-2-ylpyrazol-3-yl)methyl]oxolan-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[3-[(1-propan-2-ylpyrazol-3-yl)methyl]oxolan-3-yl]methyl]propan-2-amine (CID 64771405) is N-[[3-[(1-propan-2-ylpyrazol-3-yl)methyl]oxolan-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-[(1-propan-2-ylpyrazol-3-yl)methyl]oxolan-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-[(1-propan-2-ylpyrazol-3-yl)methyl]oxolan-3-yl]methyl]propan-2-amine is CC(C)NCC1(Cc2ccn(C(C)C)n2)CCOC1.
What is the InChIKey of N-[[3-[(1-propan-2-ylpyrazol-3-yl)methyl]oxolan-3-yl]methyl]propan-2-amine?
The InChIKey is AWVIWZWINYRZOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-12(2)16-10-15(6-8-19-11-15)9-14-5-7-18(17-14)13(3)4/h5,7,12-13,16H,6,8-11H2,1-4H3.
What are the key properties of N-[[3-[(1-propan-2-ylpyrazol-3-yl)methyl]oxolan-3-yl]methyl]propan-2-amine?
N-[[3-[(1-propan-2-ylpyrazol-3-yl)methyl]oxolan-3-yl]methyl]propan-2-amine has a molecular weight of 265.40 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(1-propan-2-ylpyrazol-3-yl)methyl]oxolan-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 64771405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).