5-(oxolan-2-yl)-3-pyrrolidin-1-yl-4-(thiolan-2-yl)-1H-pyrazole

C15H23N3OS — CID 141077663

IUPAC5-(oxolan-2-yl)-3-pyrrolidin-1-yl-4-(thiolan-2-yl)-1H-pyrazole
SMILESC1COC(c2[nH]nc(N3CCCC3)c2C2CCCS2)C1
InChIInChI=1S/C15H23N3OS/c1-2-8-18(7-1)15-13(12-6-4-10-20-12)14(16-17-15)11-5-3-9-19-11/h11-12H,1-10H2,(H,16,17)
InChIKeyGPZNEAHQJXFJRK-UHFFFAOYSA-N
MW293.44 g/mol
LogP3.43
Rot. Bonds3

About 5-(oxolan-2-yl)-3-pyrrolidin-1-yl-4-(thiolan-2-yl)-1H-pyrazole

5-(oxolan-2-yl)-3-pyrrolidin-1-yl-4-(thiolan-2-yl)-1H-pyrazole (PubChem CID 141077663) has the molecular formula C15H23N3OS and a molecular weight of 293.44 g/mol. Its IUPAC name is 5-(oxolan-2-yl)-3-pyrrolidin-1-yl-4-(thiolan-2-yl)-1H-pyrazole.

Molecular Properties

Compound Name5-(oxolan-2-yl)-3-pyrrolidin-1-yl-4-(thiolan-2-yl)-1H-pyrazole
PubChem CID141077663
Molecular FormulaC15H23N3OS
Molecular Weight293.44 g/mol
Exact Mass293.16
IUPAC Name5-(oxolan-2-yl)-3-pyrrolidin-1-yl-4-(thiolan-2-yl)-1H-pyrazole
SMILESC1COC(c2[nH]nc(N3CCCC3)c2C2CCCS2)C1
InChIInChI=1S/C15H23N3OS/c1-2-8-18(7-1)15-13(12-6-4-10-20-12)14(16-17-15)11-5-3-9-19-11/h11-12H,1-10H2,(H,16,17)
InChIKeyGPZNEAHQJXFJRK-UHFFFAOYSA-N
XLogP3.43
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(oxolan-2-yl)-3-pyrrolidin-1-yl-4-(thiolan-2-yl)-1H-pyrazole?
The IUPAC name of 5-(oxolan-2-yl)-3-pyrrolidin-1-yl-4-(thiolan-2-yl)-1H-pyrazole (CID 141077663) is 5-(oxolan-2-yl)-3-pyrrolidin-1-yl-4-(thiolan-2-yl)-1H-pyrazole.
What is the SMILES notation for 5-(oxolan-2-yl)-3-pyrrolidin-1-yl-4-(thiolan-2-yl)-1H-pyrazole?
The canonical SMILES for 5-(oxolan-2-yl)-3-pyrrolidin-1-yl-4-(thiolan-2-yl)-1H-pyrazole is C1COC(c2[nH]nc(N3CCCC3)c2C2CCCS2)C1.
What is the InChIKey of 5-(oxolan-2-yl)-3-pyrrolidin-1-yl-4-(thiolan-2-yl)-1H-pyrazole?
The InChIKey is GPZNEAHQJXFJRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3OS/c1-2-8-18(7-1)15-13(12-6-4-10-20-12)14(16-17-15)11-5-3-9-19-11/h11-12H,1-10H2,(H,16,17).
What are the key properties of 5-(oxolan-2-yl)-3-pyrrolidin-1-yl-4-(thiolan-2-yl)-1H-pyrazole?
5-(oxolan-2-yl)-3-pyrrolidin-1-yl-4-(thiolan-2-yl)-1H-pyrazole has a molecular weight of 293.44 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(oxolan-2-yl)-3-pyrrolidin-1-yl-4-(thiolan-2-yl)-1H-pyrazole is sourced from PubChem (CID 141077663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).