2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-amine

C10H17N3O — CID 122235494

IUPAC2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-amine
SMILESCc1nn(C)c(C)c1C1OCCC1N
InChIInChI=1S/C10H17N3O/c1-6-9(7(2)13(3)12-6)10-8(11)4-5-14-10/h8,10H,4-5,11H2,1-3H3
InChIKeyLZNKBIFLXUQUBU-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.83
Rot. Bonds1

About 2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-amine

2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-amine (PubChem CID 122235494) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-amine.

Molecular Properties

Compound Name2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-amine
PubChem CID122235494
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-amine
SMILESCc1nn(C)c(C)c1C1OCCC1N
InChIInChI=1S/C10H17N3O/c1-6-9(7(2)13(3)12-6)10-8(11)4-5-14-10/h8,10H,4-5,11H2,1-3H3
InChIKeyLZNKBIFLXUQUBU-UHFFFAOYSA-N
XLogP0.83
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-amine?
The IUPAC name of 2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-amine (CID 122235494) is 2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-amine.
What is the SMILES notation for 2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-amine?
The canonical SMILES for 2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-amine is Cc1nn(C)c(C)c1C1OCCC1N.
What is the InChIKey of 2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-amine?
The InChIKey is LZNKBIFLXUQUBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-6-9(7(2)13(3)12-6)10-8(11)4-5-14-10/h8,10H,4-5,11H2,1-3H3.
What are the key properties of 2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-amine?
2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-amine has a molecular weight of 195.27 g/mol, XLogP of 0.83, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-amine is sourced from PubChem (CID 122235494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).