3-ethyl-5-methoxy-1-(pyrrolidin-2-ylmethyl)pyrazole

C11H19N3O — CID 84722962

IUPAC3-ethyl-5-methoxy-1-(pyrrolidin-2-ylmethyl)pyrazole
SMILESCCc1cc(OC)n(CC2CCCN2)n1
InChIInChI=1S/C11H19N3O/c1-3-9-7-11(15-2)14(13-9)8-10-5-4-6-12-10/h7,10,12H,3-6,8H2,1-2H3
InChIKeyKLLLNFMDTNMCBQ-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.21
Rot. Bonds4

About 3-ethyl-5-methoxy-1-(pyrrolidin-2-ylmethyl)pyrazole

3-ethyl-5-methoxy-1-(pyrrolidin-2-ylmethyl)pyrazole (PubChem CID 84722962) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 3-ethyl-5-methoxy-1-(pyrrolidin-2-ylmethyl)pyrazole.

Molecular Properties

Compound Name3-ethyl-5-methoxy-1-(pyrrolidin-2-ylmethyl)pyrazole
PubChem CID84722962
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name3-ethyl-5-methoxy-1-(pyrrolidin-2-ylmethyl)pyrazole
SMILESCCc1cc(OC)n(CC2CCCN2)n1
InChIInChI=1S/C11H19N3O/c1-3-9-7-11(15-2)14(13-9)8-10-5-4-6-12-10/h7,10,12H,3-6,8H2,1-2H3
InChIKeyKLLLNFMDTNMCBQ-UHFFFAOYSA-N
XLogP1.21
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-methoxy-1-(pyrrolidin-2-ylmethyl)pyrazole?
The IUPAC name of 3-ethyl-5-methoxy-1-(pyrrolidin-2-ylmethyl)pyrazole (CID 84722962) is 3-ethyl-5-methoxy-1-(pyrrolidin-2-ylmethyl)pyrazole.
What is the SMILES notation for 3-ethyl-5-methoxy-1-(pyrrolidin-2-ylmethyl)pyrazole?
The canonical SMILES for 3-ethyl-5-methoxy-1-(pyrrolidin-2-ylmethyl)pyrazole is CCc1cc(OC)n(CC2CCCN2)n1.
What is the InChIKey of 3-ethyl-5-methoxy-1-(pyrrolidin-2-ylmethyl)pyrazole?
The InChIKey is KLLLNFMDTNMCBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-3-9-7-11(15-2)14(13-9)8-10-5-4-6-12-10/h7,10,12H,3-6,8H2,1-2H3.
What are the key properties of 3-ethyl-5-methoxy-1-(pyrrolidin-2-ylmethyl)pyrazole?
3-ethyl-5-methoxy-1-(pyrrolidin-2-ylmethyl)pyrazole has a molecular weight of 209.29 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-methoxy-1-(pyrrolidin-2-ylmethyl)pyrazole is sourced from PubChem (CID 84722962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).