1-cyclopentyl-4-(thiolan-2-ylmethoxy)pyrazole

C13H20N2OS — CID 117233938

IUPAC1-cyclopentyl-4-(thiolan-2-ylmethoxy)pyrazole
SMILESc1nn(C2CCCC2)cc1OCC1CCCS1
InChIInChI=1S/C13H20N2OS/c1-2-5-11(4-1)15-9-12(8-14-15)16-10-13-6-3-7-17-13/h8-9,11,13H,1-7,10H2
InChIKeyNAHGTMYMVBRZFX-UHFFFAOYSA-N
MW252.38 g/mol
LogP3.27
Rot. Bonds4

About 1-cyclopentyl-4-(thiolan-2-ylmethoxy)pyrazole

1-cyclopentyl-4-(thiolan-2-ylmethoxy)pyrazole (PubChem CID 117233938) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is 1-cyclopentyl-4-(thiolan-2-ylmethoxy)pyrazole.

Molecular Properties

Compound Name1-cyclopentyl-4-(thiolan-2-ylmethoxy)pyrazole
PubChem CID117233938
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC Name1-cyclopentyl-4-(thiolan-2-ylmethoxy)pyrazole
SMILESc1nn(C2CCCC2)cc1OCC1CCCS1
InChIInChI=1S/C13H20N2OS/c1-2-5-11(4-1)15-9-12(8-14-15)16-10-13-6-3-7-17-13/h8-9,11,13H,1-7,10H2
InChIKeyNAHGTMYMVBRZFX-UHFFFAOYSA-N
XLogP3.27
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4-(thiolan-2-ylmethoxy)pyrazole?
The IUPAC name of 1-cyclopentyl-4-(thiolan-2-ylmethoxy)pyrazole (CID 117233938) is 1-cyclopentyl-4-(thiolan-2-ylmethoxy)pyrazole.
What is the SMILES notation for 1-cyclopentyl-4-(thiolan-2-ylmethoxy)pyrazole?
The canonical SMILES for 1-cyclopentyl-4-(thiolan-2-ylmethoxy)pyrazole is c1nn(C2CCCC2)cc1OCC1CCCS1.
What is the InChIKey of 1-cyclopentyl-4-(thiolan-2-ylmethoxy)pyrazole?
The InChIKey is NAHGTMYMVBRZFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-2-5-11(4-1)15-9-12(8-14-15)16-10-13-6-3-7-17-13/h8-9,11,13H,1-7,10H2.
What are the key properties of 1-cyclopentyl-4-(thiolan-2-ylmethoxy)pyrazole?
1-cyclopentyl-4-(thiolan-2-ylmethoxy)pyrazole has a molecular weight of 252.38 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4-(thiolan-2-ylmethoxy)pyrazole is sourced from PubChem (CID 117233938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).