N-(3-methoxycyclobutyl)-1,3,5-trimethylpyrazol-4-amine

C11H19N3O — CID 106821264

IUPACN-(3-methoxycyclobutyl)-1,3,5-trimethylpyrazol-4-amine
SMILESCOC1CC(Nc2c(C)nn(C)c2C)C1
InChIInChI=1S/C11H19N3O/c1-7-11(8(2)14(3)13-7)12-9-5-10(6-9)15-4/h9-10,12H,5-6H2,1-4H3
InChIKeyKKJJDGJOWVGXAA-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.63
Rot. Bonds3

About N-(3-methoxycyclobutyl)-1,3,5-trimethylpyrazol-4-amine

N-(3-methoxycyclobutyl)-1,3,5-trimethylpyrazol-4-amine (PubChem CID 106821264) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is N-(3-methoxycyclobutyl)-1,3,5-trimethylpyrazol-4-amine.

Molecular Properties

Compound NameN-(3-methoxycyclobutyl)-1,3,5-trimethylpyrazol-4-amine
PubChem CID106821264
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC NameN-(3-methoxycyclobutyl)-1,3,5-trimethylpyrazol-4-amine
SMILESCOC1CC(Nc2c(C)nn(C)c2C)C1
InChIInChI=1S/C11H19N3O/c1-7-11(8(2)14(3)13-7)12-9-5-10(6-9)15-4/h9-10,12H,5-6H2,1-4H3
InChIKeyKKJJDGJOWVGXAA-UHFFFAOYSA-N
XLogP1.63
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 ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxycyclobutyl)-1,3,5-trimethylpyrazol-4-amine?
The IUPAC name of N-(3-methoxycyclobutyl)-1,3,5-trimethylpyrazol-4-amine (CID 106821264) is N-(3-methoxycyclobutyl)-1,3,5-trimethylpyrazol-4-amine.
What is the SMILES notation for N-(3-methoxycyclobutyl)-1,3,5-trimethylpyrazol-4-amine?
The canonical SMILES for N-(3-methoxycyclobutyl)-1,3,5-trimethylpyrazol-4-amine is COC1CC(Nc2c(C)nn(C)c2C)C1.
What is the InChIKey of N-(3-methoxycyclobutyl)-1,3,5-trimethylpyrazol-4-amine?
The InChIKey is KKJJDGJOWVGXAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-7-11(8(2)14(3)13-7)12-9-5-10(6-9)15-4/h9-10,12H,5-6H2,1-4H3.
What are the key properties of N-(3-methoxycyclobutyl)-1,3,5-trimethylpyrazol-4-amine?
N-(3-methoxycyclobutyl)-1,3,5-trimethylpyrazol-4-amine has a molecular weight of 209.29 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxycyclobutyl)-1,3,5-trimethylpyrazol-4-amine is sourced from PubChem (CID 106821264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).