CID 166161260

C12H15AlF3N3O4S — CID 166161260

IUPAC—
SMILESCc1nn(S(C)(=O)=O)cc1NC(=O)[C@@H]1O[C@@](C)(C(F)(F)F)C[C@H]1[Al]
InChIInChI=1S/C12H15F3N3O4S.Al/c1-7-8(6-18(17-7)23(3,20)21)16-10(19)9-4-5-11(2,22-9)12(13,14)15;/h4,6,9H,5H2,1-3H3,(H,16,19);/t9-,11-;/m1./s1
InChIKeyHENXUSOJBMGXEG-FOKYBFFNSA-N
MW381.31 g/mol
LogP1.00
Rot. Bonds3

About CID 166161260

CID 166161260 (PubChem CID 166161260) has the molecular formula C12H15AlF3N3O4S and a molecular weight of 381.31 g/mol.

Molecular Properties

Compound NameCID 166161260
PubChem CID166161260
Molecular FormulaC12H15AlF3N3O4S
Molecular Weight381.31 g/mol
Exact Mass381.06
IUPAC Name—
SMILESCc1nn(S(C)(=O)=O)cc1NC(=O)[C@@H]1O[C@@](C)(C(F)(F)F)C[C@H]1[Al]
InChIInChI=1S/C12H15F3N3O4S.Al/c1-7-8(6-18(17-7)23(3,20)21)16-10(19)9-4-5-11(2,22-9)12(13,14)15;/h4,6,9H,5H2,1-3H3,(H,16,19);/t9-,11-;/m1./s1
InChIKeyHENXUSOJBMGXEG-FOKYBFFNSA-N
XLogP1.00
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.31
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

CID 166160926
CID 166160926
(5R)-N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-5-methyl-5-(trifluoromethyl)oxolane-2-carboxamide
CID 167211659
(2R,4S,5R)-N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide
CID 167211969
(2R,4S,5R)-N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-4,5-dimethyloxolane-2-carboxamide
CID 167211970
N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide
CID 175806044
5-methyl-N-(3-methyl-1-methylsulfonylpyrazol-4-yl)-5-(trifluoromethyl)oxolane-2-carboxamide
CID 175806114
N-(3-methyl-1-methylsulfonylpyrazol-4-yl)-5-(trifluoromethyl)oxolane-2-carboxamide
CID 175806235
(4S)-N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-4,5-dimethyloxolane-2-carboxamide
CID 166160302
(2R,3R,4S)-N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-3-ethyl-4,5,5-trimethyloxolane-2-carboxamide
CID 166160375
N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-5-methyloxolane-2-carboxamide
CID 166160443
(2R,4S)-N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-4,5-dimethyloxolane-2-carboxamide
CID 166160798
N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-3,5-dimethyloxolane-2-carboxamide
CID 166161004

Frequently Asked Questions

What is the IUPAC name of CID 166161260?
The IUPAC name of CID 166161260 (CID 166161260) is not available.
What is the SMILES notation for CID 166161260?
The canonical SMILES for CID 166161260 is Cc1nn(S(C)(=O)=O)cc1NC(=O)[C@@H]1O[C@@](C)(C(F)(F)F)C[C@H]1[Al].
What is the InChIKey of CID 166161260?
The InChIKey is HENXUSOJBMGXEG-FOKYBFFNSA-N. The full InChI is InChI=1S/C12H15F3N3O4S.Al/c1-7-8(6-18(17-7)23(3,20)21)16-10(19)9-4-5-11(2,22-9)12(13,14)15;/h4,6,9H,5H2,1-3H3,(H,16,19);/t9-,11-;/m1./s1.
What are the key properties of CID 166161260?
CID 166161260 has a molecular weight of 381.31 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 166161260 is sourced from PubChem (CID 166161260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).