3-cyclopropyl-5-methoxy-1-pyrrolidin-3-ylpyrazole

C11H17N3O — CID 84722424

IUPAC3-cyclopropyl-5-methoxy-1-pyrrolidin-3-ylpyrazole
SMILESCOc1cc(C2CC2)nn1C1CCNC1
InChIInChI=1S/C11H17N3O/c1-15-11-6-10(8-2-3-8)13-14(11)9-4-5-12-7-9/h6,8-9,12H,2-5,7H2,1H3
InChIKeyDYTQMQJUHNVJHU-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.30
Rot. Bonds3

About 3-cyclopropyl-5-methoxy-1-pyrrolidin-3-ylpyrazole

3-cyclopropyl-5-methoxy-1-pyrrolidin-3-ylpyrazole (PubChem CID 84722424) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 3-cyclopropyl-5-methoxy-1-pyrrolidin-3-ylpyrazole.

Molecular Properties

Compound Name3-cyclopropyl-5-methoxy-1-pyrrolidin-3-ylpyrazole
PubChem CID84722424
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name3-cyclopropyl-5-methoxy-1-pyrrolidin-3-ylpyrazole
SMILESCOc1cc(C2CC2)nn1C1CCNC1
InChIInChI=1S/C11H17N3O/c1-15-11-6-10(8-2-3-8)13-14(11)9-4-5-12-7-9/h6,8-9,12H,2-5,7H2,1H3
InChIKeyDYTQMQJUHNVJHU-UHFFFAOYSA-N
XLogP1.30
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-methoxy-1-pyrrolidin-3-ylpyrazole?
The IUPAC name of 3-cyclopropyl-5-methoxy-1-pyrrolidin-3-ylpyrazole (CID 84722424) is 3-cyclopropyl-5-methoxy-1-pyrrolidin-3-ylpyrazole.
What is the SMILES notation for 3-cyclopropyl-5-methoxy-1-pyrrolidin-3-ylpyrazole?
The canonical SMILES for 3-cyclopropyl-5-methoxy-1-pyrrolidin-3-ylpyrazole is COc1cc(C2CC2)nn1C1CCNC1.
What is the InChIKey of 3-cyclopropyl-5-methoxy-1-pyrrolidin-3-ylpyrazole?
The InChIKey is DYTQMQJUHNVJHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-15-11-6-10(8-2-3-8)13-14(11)9-4-5-12-7-9/h6,8-9,12H,2-5,7H2,1H3.
What are the key properties of 3-cyclopropyl-5-methoxy-1-pyrrolidin-3-ylpyrazole?
3-cyclopropyl-5-methoxy-1-pyrrolidin-3-ylpyrazole has a molecular weight of 207.28 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-methoxy-1-pyrrolidin-3-ylpyrazole is sourced from PubChem (CID 84722424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).