1-ethyl-4-(pyrrolidin-3-yloxymethyl)pyrazole

C10H17N3O — CID 62328791

IUPAC1-ethyl-4-(pyrrolidin-3-yloxymethyl)pyrazole
SMILESCCn1cc(COC2CCNC2)cn1
InChIInChI=1S/C10H17N3O/c1-2-13-7-9(5-12-13)8-14-10-3-4-11-6-10/h5,7,10-11H,2-4,6,8H2,1H3
InChIKeyMNJYNSXTZKHBLJ-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.78
Rot. Bonds4

About 1-ethyl-4-(pyrrolidin-3-yloxymethyl)pyrazole

1-ethyl-4-(pyrrolidin-3-yloxymethyl)pyrazole (PubChem CID 62328791) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 1-ethyl-4-(pyrrolidin-3-yloxymethyl)pyrazole.

Molecular Properties

Compound Name1-ethyl-4-(pyrrolidin-3-yloxymethyl)pyrazole
PubChem CID62328791
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name1-ethyl-4-(pyrrolidin-3-yloxymethyl)pyrazole
SMILESCCn1cc(COC2CCNC2)cn1
InChIInChI=1S/C10H17N3O/c1-2-13-7-9(5-12-13)8-14-10-3-4-11-6-10/h5,7,10-11H,2-4,6,8H2,1H3
InChIKeyMNJYNSXTZKHBLJ-UHFFFAOYSA-N
XLogP0.78
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(pyrrolidin-3-yloxymethyl)pyrazole?
The IUPAC name of 1-ethyl-4-(pyrrolidin-3-yloxymethyl)pyrazole (CID 62328791) is 1-ethyl-4-(pyrrolidin-3-yloxymethyl)pyrazole.
What is the SMILES notation for 1-ethyl-4-(pyrrolidin-3-yloxymethyl)pyrazole?
The canonical SMILES for 1-ethyl-4-(pyrrolidin-3-yloxymethyl)pyrazole is CCn1cc(COC2CCNC2)cn1.
What is the InChIKey of 1-ethyl-4-(pyrrolidin-3-yloxymethyl)pyrazole?
The InChIKey is MNJYNSXTZKHBLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-2-13-7-9(5-12-13)8-14-10-3-4-11-6-10/h5,7,10-11H,2-4,6,8H2,1H3.
What are the key properties of 1-ethyl-4-(pyrrolidin-3-yloxymethyl)pyrazole?
1-ethyl-4-(pyrrolidin-3-yloxymethyl)pyrazole has a molecular weight of 195.27 g/mol, XLogP of 0.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(pyrrolidin-3-yloxymethyl)pyrazole is sourced from PubChem (CID 62328791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).