3-methyl-5-(oxan-4-ylmethoxy)-1-propan-2-ylpyrazol-4-amine

C13H23N3O2 — CID 66026170

IUPAC3-methyl-5-(oxan-4-ylmethoxy)-1-propan-2-ylpyrazol-4-amine
SMILESCc1nn(C(C)C)c(OCC2CCOCC2)c1N
InChIInChI=1S/C13H23N3O2/c1-9(2)16-13(12(14)10(3)15-16)18-8-11-4-6-17-7-5-11/h9,11H,4-8,14H2,1-3H3
InChIKeyGBPOOAOKYXKMJE-UHFFFAOYSA-N
MW253.35 g/mol
LogP2.16
Rot. Bonds4

About 3-methyl-5-(oxan-4-ylmethoxy)-1-propan-2-ylpyrazol-4-amine

3-methyl-5-(oxan-4-ylmethoxy)-1-propan-2-ylpyrazol-4-amine (PubChem CID 66026170) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 3-methyl-5-(oxan-4-ylmethoxy)-1-propan-2-ylpyrazol-4-amine.

Molecular Properties

Compound Name3-methyl-5-(oxan-4-ylmethoxy)-1-propan-2-ylpyrazol-4-amine
PubChem CID66026170
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name3-methyl-5-(oxan-4-ylmethoxy)-1-propan-2-ylpyrazol-4-amine
SMILESCc1nn(C(C)C)c(OCC2CCOCC2)c1N
InChIInChI=1S/C13H23N3O2/c1-9(2)16-13(12(14)10(3)15-16)18-8-11-4-6-17-7-5-11/h9,11H,4-8,14H2,1-3H3
InChIKeyGBPOOAOKYXKMJE-UHFFFAOYSA-N
XLogP2.16
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(oxan-4-ylmethoxy)-1-propan-2-ylpyrazol-4-amine?
The IUPAC name of 3-methyl-5-(oxan-4-ylmethoxy)-1-propan-2-ylpyrazol-4-amine (CID 66026170) is 3-methyl-5-(oxan-4-ylmethoxy)-1-propan-2-ylpyrazol-4-amine.
What is the SMILES notation for 3-methyl-5-(oxan-4-ylmethoxy)-1-propan-2-ylpyrazol-4-amine?
The canonical SMILES for 3-methyl-5-(oxan-4-ylmethoxy)-1-propan-2-ylpyrazol-4-amine is Cc1nn(C(C)C)c(OCC2CCOCC2)c1N.
What is the InChIKey of 3-methyl-5-(oxan-4-ylmethoxy)-1-propan-2-ylpyrazol-4-amine?
The InChIKey is GBPOOAOKYXKMJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-9(2)16-13(12(14)10(3)15-16)18-8-11-4-6-17-7-5-11/h9,11H,4-8,14H2,1-3H3.
What are the key properties of 3-methyl-5-(oxan-4-ylmethoxy)-1-propan-2-ylpyrazol-4-amine?
3-methyl-5-(oxan-4-ylmethoxy)-1-propan-2-ylpyrazol-4-amine has a molecular weight of 253.35 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(oxan-4-ylmethoxy)-1-propan-2-ylpyrazol-4-amine is sourced from PubChem (CID 66026170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).