N-(oxan-4-yl)-1-propan-2-ylpyrazol-4-amine

C11H19N3O — CID 62903541

IUPACN-(oxan-4-yl)-1-propan-2-ylpyrazol-4-amine
SMILESCC(C)n1cc(NC2CCOCC2)cn1
InChIInChI=1S/C11H19N3O/c1-9(2)14-8-11(7-12-14)13-10-3-5-15-6-4-10/h7-10,13H,3-6H2,1-2H3
InChIKeySNZIEWBKDSJBPT-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.05
Rot. Bonds3

About N-(oxan-4-yl)-1-propan-2-ylpyrazol-4-amine

N-(oxan-4-yl)-1-propan-2-ylpyrazol-4-amine (PubChem CID 62903541) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is N-(oxan-4-yl)-1-propan-2-ylpyrazol-4-amine.

Molecular Properties

Compound NameN-(oxan-4-yl)-1-propan-2-ylpyrazol-4-amine
PubChem CID62903541
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC NameN-(oxan-4-yl)-1-propan-2-ylpyrazol-4-amine
SMILESCC(C)n1cc(NC2CCOCC2)cn1
InChIInChI=1S/C11H19N3O/c1-9(2)14-8-11(7-12-14)13-10-3-5-15-6-4-10/h7-10,13H,3-6H2,1-2H3
InChIKeySNZIEWBKDSJBPT-UHFFFAOYSA-N
XLogP2.05
TPSA39.08 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 ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-yl)-1-propan-2-ylpyrazol-4-amine?
The IUPAC name of N-(oxan-4-yl)-1-propan-2-ylpyrazol-4-amine (CID 62903541) is N-(oxan-4-yl)-1-propan-2-ylpyrazol-4-amine.
What is the SMILES notation for N-(oxan-4-yl)-1-propan-2-ylpyrazol-4-amine?
The canonical SMILES for N-(oxan-4-yl)-1-propan-2-ylpyrazol-4-amine is CC(C)n1cc(NC2CCOCC2)cn1.
What is the InChIKey of N-(oxan-4-yl)-1-propan-2-ylpyrazol-4-amine?
The InChIKey is SNZIEWBKDSJBPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-9(2)14-8-11(7-12-14)13-10-3-5-15-6-4-10/h7-10,13H,3-6H2,1-2H3.
What are the key properties of N-(oxan-4-yl)-1-propan-2-ylpyrazol-4-amine?
N-(oxan-4-yl)-1-propan-2-ylpyrazol-4-amine has a molecular weight of 209.29 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-yl)-1-propan-2-ylpyrazol-4-amine is sourced from PubChem (CID 62903541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).