3-(1-cyclobutyl-5-methoxypyrazol-4-yl)propan-1-amine

C11H19N3O — CID 115068985

IUPAC3-(1-cyclobutyl-5-methoxypyrazol-4-yl)propan-1-amine
SMILESCOc1c(CCCN)cnn1C1CCC1
InChIInChI=1S/C11H19N3O/c1-15-11-9(4-3-7-12)8-13-14(11)10-5-2-6-10/h8,10H,2-7,12H2,1H3
InChIKeyXQZSXXGRKOTJHW-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.51
Rot. Bonds5

About 3-(1-cyclobutyl-5-methoxypyrazol-4-yl)propan-1-amine

3-(1-cyclobutyl-5-methoxypyrazol-4-yl)propan-1-amine (PubChem CID 115068985) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 3-(1-cyclobutyl-5-methoxypyrazol-4-yl)propan-1-amine.

Molecular Properties

Compound Name3-(1-cyclobutyl-5-methoxypyrazol-4-yl)propan-1-amine
PubChem CID115068985
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name3-(1-cyclobutyl-5-methoxypyrazol-4-yl)propan-1-amine
SMILESCOc1c(CCCN)cnn1C1CCC1
InChIInChI=1S/C11H19N3O/c1-15-11-9(4-3-7-12)8-13-14(11)10-5-2-6-10/h8,10H,2-7,12H2,1H3
InChIKeyXQZSXXGRKOTJHW-UHFFFAOYSA-N
XLogP1.51
TPSA53.07 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 ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclobutyl-5-methoxypyrazol-4-yl)propan-1-amine?
The IUPAC name of 3-(1-cyclobutyl-5-methoxypyrazol-4-yl)propan-1-amine (CID 115068985) is 3-(1-cyclobutyl-5-methoxypyrazol-4-yl)propan-1-amine.
What is the SMILES notation for 3-(1-cyclobutyl-5-methoxypyrazol-4-yl)propan-1-amine?
The canonical SMILES for 3-(1-cyclobutyl-5-methoxypyrazol-4-yl)propan-1-amine is COc1c(CCCN)cnn1C1CCC1.
What is the InChIKey of 3-(1-cyclobutyl-5-methoxypyrazol-4-yl)propan-1-amine?
The InChIKey is XQZSXXGRKOTJHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-15-11-9(4-3-7-12)8-13-14(11)10-5-2-6-10/h8,10H,2-7,12H2,1H3.
What are the key properties of 3-(1-cyclobutyl-5-methoxypyrazol-4-yl)propan-1-amine?
3-(1-cyclobutyl-5-methoxypyrazol-4-yl)propan-1-amine has a molecular weight of 209.29 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclobutyl-5-methoxypyrazol-4-yl)propan-1-amine is sourced from PubChem (CID 115068985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).