1-(azetidin-3-ylmethyl)-5-cyclopentylpyrazole

C12H19N3 — CID 84778729

IUPAC1-(azetidin-3-ylmethyl)-5-cyclopentylpyrazole
SMILESc1cc(C2CCCC2)n(CC2CNC2)n1
InChIInChI=1S/C12H19N3/c1-2-4-11(3-1)12-5-6-14-15(12)9-10-7-13-8-10/h5-6,10-11,13H,1-4,7-9H2
InChIKeyFBCRIXGYEVETAF-UHFFFAOYSA-N
MW205.30 g/mol
LogP1.76
Rot. Bonds3

About 1-(azetidin-3-ylmethyl)-5-cyclopentylpyrazole

1-(azetidin-3-ylmethyl)-5-cyclopentylpyrazole (PubChem CID 84778729) has the molecular formula C12H19N3 and a molecular weight of 205.30 g/mol. Its IUPAC name is 1-(azetidin-3-ylmethyl)-5-cyclopentylpyrazole.

Molecular Properties

Compound Name1-(azetidin-3-ylmethyl)-5-cyclopentylpyrazole
PubChem CID84778729
Molecular FormulaC12H19N3
Molecular Weight205.30 g/mol
Exact Mass205.16
IUPAC Name1-(azetidin-3-ylmethyl)-5-cyclopentylpyrazole
SMILESc1cc(C2CCCC2)n(CC2CNC2)n1
InChIInChI=1S/C12H19N3/c1-2-4-11(3-1)12-5-6-14-15(12)9-10-7-13-8-10/h5-6,10-11,13H,1-4,7-9H2
InChIKeyFBCRIXGYEVETAF-UHFFFAOYSA-N
XLogP1.76
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-ylmethyl)-5-cyclopentylpyrazole?
The IUPAC name of 1-(azetidin-3-ylmethyl)-5-cyclopentylpyrazole (CID 84778729) is 1-(azetidin-3-ylmethyl)-5-cyclopentylpyrazole.
What is the SMILES notation for 1-(azetidin-3-ylmethyl)-5-cyclopentylpyrazole?
The canonical SMILES for 1-(azetidin-3-ylmethyl)-5-cyclopentylpyrazole is c1cc(C2CCCC2)n(CC2CNC2)n1.
What is the InChIKey of 1-(azetidin-3-ylmethyl)-5-cyclopentylpyrazole?
The InChIKey is FBCRIXGYEVETAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-2-4-11(3-1)12-5-6-14-15(12)9-10-7-13-8-10/h5-6,10-11,13H,1-4,7-9H2.
What are the key properties of 1-(azetidin-3-ylmethyl)-5-cyclopentylpyrazole?
1-(azetidin-3-ylmethyl)-5-cyclopentylpyrazole has a molecular weight of 205.30 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-ylmethyl)-5-cyclopentylpyrazole is sourced from PubChem (CID 84778729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).