3-methoxy-1-methyl-5-pyrrolidin-2-ylpyrazole

C9H15N3O — CID 82654621

IUPAC3-methoxy-1-methyl-5-pyrrolidin-2-ylpyrazole
SMILESCOc1cc(C2CCCN2)n(C)n1
InChIInChI=1S/C9H15N3O/c1-12-8(6-9(11-12)13-2)7-4-3-5-10-7/h6-7,10H,3-5H2,1-2H3
InChIKeyHHZVLYSTGIJREE-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.85
Rot. Bonds2

About 3-methoxy-1-methyl-5-pyrrolidin-2-ylpyrazole

3-methoxy-1-methyl-5-pyrrolidin-2-ylpyrazole (PubChem CID 82654621) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 3-methoxy-1-methyl-5-pyrrolidin-2-ylpyrazole.

Molecular Properties

Compound Name3-methoxy-1-methyl-5-pyrrolidin-2-ylpyrazole
PubChem CID82654621
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name3-methoxy-1-methyl-5-pyrrolidin-2-ylpyrazole
SMILESCOc1cc(C2CCCN2)n(C)n1
InChIInChI=1S/C9H15N3O/c1-12-8(6-9(11-12)13-2)7-4-3-5-10-7/h6-7,10H,3-5H2,1-2H3
InChIKeyHHZVLYSTGIJREE-UHFFFAOYSA-N
XLogP0.85
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-methyl-5-pyrrolidin-2-ylpyrazole?
The IUPAC name of 3-methoxy-1-methyl-5-pyrrolidin-2-ylpyrazole (CID 82654621) is 3-methoxy-1-methyl-5-pyrrolidin-2-ylpyrazole.
What is the SMILES notation for 3-methoxy-1-methyl-5-pyrrolidin-2-ylpyrazole?
The canonical SMILES for 3-methoxy-1-methyl-5-pyrrolidin-2-ylpyrazole is COc1cc(C2CCCN2)n(C)n1.
What is the InChIKey of 3-methoxy-1-methyl-5-pyrrolidin-2-ylpyrazole?
The InChIKey is HHZVLYSTGIJREE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-12-8(6-9(11-12)13-2)7-4-3-5-10-7/h6-7,10H,3-5H2,1-2H3.
What are the key properties of 3-methoxy-1-methyl-5-pyrrolidin-2-ylpyrazole?
3-methoxy-1-methyl-5-pyrrolidin-2-ylpyrazole has a molecular weight of 181.24 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-methyl-5-pyrrolidin-2-ylpyrazole is sourced from PubChem (CID 82654621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).