N-(oxolan-3-ylmethyl)-1-pyrazol-1-ylpropan-2-amine

C11H19N3O — CID 43749387

IUPACN-(oxolan-3-ylmethyl)-1-pyrazol-1-ylpropan-2-amine
SMILESCC(Cn1cccn1)NCC1CCOC1
InChIInChI=1S/C11H19N3O/c1-10(8-14-5-2-4-13-14)12-7-11-3-6-15-9-11/h2,4-5,10-12H,3,6-9H2,1H3
InChIKeyLVRATVNLBKFZLU-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.90
Rot. Bonds5

About N-(oxolan-3-ylmethyl)-1-pyrazol-1-ylpropan-2-amine

N-(oxolan-3-ylmethyl)-1-pyrazol-1-ylpropan-2-amine (PubChem CID 43749387) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is N-(oxolan-3-ylmethyl)-1-pyrazol-1-ylpropan-2-amine.

Molecular Properties

Compound NameN-(oxolan-3-ylmethyl)-1-pyrazol-1-ylpropan-2-amine
PubChem CID43749387
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC NameN-(oxolan-3-ylmethyl)-1-pyrazol-1-ylpropan-2-amine
SMILESCC(Cn1cccn1)NCC1CCOC1
InChIInChI=1S/C11H19N3O/c1-10(8-14-5-2-4-13-14)12-7-11-3-6-15-9-11/h2,4-5,10-12H,3,6-9H2,1H3
InChIKeyLVRATVNLBKFZLU-UHFFFAOYSA-N
XLogP0.90
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(oxolan-3-ylmethyl)-1-pyrazol-1-ylpropan-2-amine?
The IUPAC name of N-(oxolan-3-ylmethyl)-1-pyrazol-1-ylpropan-2-amine (CID 43749387) is N-(oxolan-3-ylmethyl)-1-pyrazol-1-ylpropan-2-amine.
What is the SMILES notation for N-(oxolan-3-ylmethyl)-1-pyrazol-1-ylpropan-2-amine?
The canonical SMILES for N-(oxolan-3-ylmethyl)-1-pyrazol-1-ylpropan-2-amine is CC(Cn1cccn1)NCC1CCOC1.
What is the InChIKey of N-(oxolan-3-ylmethyl)-1-pyrazol-1-ylpropan-2-amine?
The InChIKey is LVRATVNLBKFZLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-10(8-14-5-2-4-13-14)12-7-11-3-6-15-9-11/h2,4-5,10-12H,3,6-9H2,1H3.
What are the key properties of N-(oxolan-3-ylmethyl)-1-pyrazol-1-ylpropan-2-amine?
N-(oxolan-3-ylmethyl)-1-pyrazol-1-ylpropan-2-amine has a molecular weight of 209.29 g/mol, XLogP of 0.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-3-ylmethyl)-1-pyrazol-1-ylpropan-2-amine is sourced from PubChem (CID 43749387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).