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

C11H19N3O — CID 65020049

IUPAC3-[(1-propan-2-ylpyrazol-3-yl)methyl]oxolan-3-amine
SMILESCC(C)n1ccc(CC2(N)CCOC2)n1
InChIInChI=1S/C11H19N3O/c1-9(2)14-5-3-10(13-14)7-11(12)4-6-15-8-11/h3,5,9H,4,6-8,12H2,1-2H3
InChIKeyKQMKMQZOKJDWON-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.12
Rot. Bonds3

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

3-[(1-propan-2-ylpyrazol-3-yl)methyl]oxolan-3-amine (PubChem CID 65020049) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 3-[(1-propan-2-ylpyrazol-3-yl)methyl]oxolan-3-amine.

Molecular Properties

Compound Name3-[(1-propan-2-ylpyrazol-3-yl)methyl]oxolan-3-amine
PubChem CID65020049
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name3-[(1-propan-2-ylpyrazol-3-yl)methyl]oxolan-3-amine
SMILESCC(C)n1ccc(CC2(N)CCOC2)n1
InChIInChI=1S/C11H19N3O/c1-9(2)14-5-3-10(13-14)7-11(12)4-6-15-8-11/h3,5,9H,4,6-8,12H2,1-2H3
InChIKeyKQMKMQZOKJDWON-UHFFFAOYSA-N
XLogP1.12
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-propan-2-ylpyrazol-3-yl)methyl]oxolan-3-amine?
The IUPAC name of 3-[(1-propan-2-ylpyrazol-3-yl)methyl]oxolan-3-amine (CID 65020049) is 3-[(1-propan-2-ylpyrazol-3-yl)methyl]oxolan-3-amine.
What is the SMILES notation for 3-[(1-propan-2-ylpyrazol-3-yl)methyl]oxolan-3-amine?
The canonical SMILES for 3-[(1-propan-2-ylpyrazol-3-yl)methyl]oxolan-3-amine is CC(C)n1ccc(CC2(N)CCOC2)n1.
What is the InChIKey of 3-[(1-propan-2-ylpyrazol-3-yl)methyl]oxolan-3-amine?
The InChIKey is KQMKMQZOKJDWON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-9(2)14-5-3-10(13-14)7-11(12)4-6-15-8-11/h3,5,9H,4,6-8,12H2,1-2H3.
What are the key properties of 3-[(1-propan-2-ylpyrazol-3-yl)methyl]oxolan-3-amine?
3-[(1-propan-2-ylpyrazol-3-yl)methyl]oxolan-3-amine has a molecular weight of 209.29 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-propan-2-ylpyrazol-3-yl)methyl]oxolan-3-amine is sourced from PubChem (CID 65020049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).