(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone

C15H15F2N3OS — CID 126854198

IUPAC(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone
SMILESO=C(c1cc(-c2cccs2)[nH]n1)N1CCC2(CC1)CC2(F)F
InChIInChI=1S/C15H15F2N3OS/c16-15(17)9-14(15)3-5-20(6-4-14)13(21)11-8-10(18-19-11)12-2-1-7-22-12/h1-2,7-8H,3-6,9H2,(H,18,19)
InChIKeyIULITJJAAXPUQO-UHFFFAOYSA-N
MW323.37 g/mol
LogP3.40
Rot. Bonds2

About (2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone

(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone (PubChem CID 126854198) has the molecular formula C15H15F2N3OS and a molecular weight of 323.37 g/mol. Its IUPAC name is (2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone.

Molecular Properties

Compound Name(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone
PubChem CID126854198
Molecular FormulaC15H15F2N3OS
Molecular Weight323.37 g/mol
Exact Mass323.09
IUPAC Name(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone
SMILESO=C(c1cc(-c2cccs2)[nH]n1)N1CCC2(CC1)CC2(F)F
InChIInChI=1S/C15H15F2N3OS/c16-15(17)9-14(15)3-5-20(6-4-14)13(21)11-8-10(18-19-11)12-2-1-7-22-12/h1-2,7-8H,3-6,9H2,(H,18,19)
InChIKeyIULITJJAAXPUQO-UHFFFAOYSA-N
XLogP3.40
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone?
The IUPAC name of (2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone (CID 126854198) is (2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone.
What is the SMILES notation for (2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone?
The canonical SMILES for (2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone is O=C(c1cc(-c2cccs2)[nH]n1)N1CCC2(CC1)CC2(F)F.
What is the InChIKey of (2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone?
The InChIKey is IULITJJAAXPUQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N3OS/c16-15(17)9-14(15)3-5-20(6-4-14)13(21)11-8-10(18-19-11)12-2-1-7-22-12/h1-2,7-8H,3-6,9H2,(H,18,19).
What are the key properties of (2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone?
(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone has a molecular weight of 323.37 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone is sourced from PubChem (CID 126854198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).