(5R)-N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-5-methyl-5-(trifluoromethyl)oxolane-2-carboxamide

C12H14F5N3O2 — CID 167211659

IUPAC(5R)-N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-5-methyl-5-(trifluoromethyl)oxolane-2-carboxamide
SMILESCc1nn(C(F)F)cc1NC(=O)C1CC[C@](C)(C(F)(F)F)O1
InChIInChI=1S/C12H14F5N3O2/c1-6-7(5-20(19-6)10(13)14)18-9(21)8-3-4-11(2,22-8)12(15,16)17/h5,8,10H,3-4H2,1-2H3,(H,18,21)/t8?,11-/m1/s1
InChIKeyFFAVRSZJNHSRAK-QHDYGNBISA-N
MW327.25 g/mol
LogP3.03
Rot. Bonds3

About (5R)-N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-5-methyl-5-(trifluoromethyl)oxolane-2-carboxamide

(5R)-N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-5-methyl-5-(trifluoromethyl)oxolane-2-carboxamide (PubChem CID 167211659) has the molecular formula C12H14F5N3O2 and a molecular weight of 327.25 g/mol. Its IUPAC name is (5R)-N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-5-methyl-5-(trifluoromethyl)oxolane-2-carboxamide.

Molecular Properties

Compound Name(5R)-N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-5-methyl-5-(trifluoromethyl)oxolane-2-carboxamide
PubChem CID167211659
Molecular FormulaC12H14F5N3O2
Molecular Weight327.25 g/mol
Exact Mass327.10
IUPAC Name(5R)-N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-5-methyl-5-(trifluoromethyl)oxolane-2-carboxamide
SMILESCc1nn(C(F)F)cc1NC(=O)C1CC[C@](C)(C(F)(F)F)O1
InChIInChI=1S/C12H14F5N3O2/c1-6-7(5-20(19-6)10(13)14)18-9(21)8-3-4-11(2,22-8)12(15,16)17/h5,8,10H,3-4H2,1-2H3,(H,18,21)/t8?,11-/m1/s1
InChIKeyFFAVRSZJNHSRAK-QHDYGNBISA-N
XLogP3.03
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.25
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3R)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-3-propan-2-yloxolane-2-carboxamide
CID 132358257
CID 166160926
CID 166160926
CID 166161260
CID 166161260
(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
N-[1-(2,2-difluoroethyl)pyrazol-4-yl]oxolane-2-carboxamide
CID 60322623
5-[[3-(Trifluoromethyl)pyrazol-1-yl]methyl]oxolane-2-carbohydrazide
CID 63577433
N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]oxolane-2-carboxamide
CID 75358385
(2S)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]oxolane-2-carboxamide
CID 95741399

Frequently Asked Questions

What is the IUPAC name of (5R)-N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-5-methyl-5-(trifluoromethyl)oxolane-2-carboxamide?
The IUPAC name of (5R)-N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-5-methyl-5-(trifluoromethyl)oxolane-2-carboxamide (CID 167211659) is (5R)-N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-5-methyl-5-(trifluoromethyl)oxolane-2-carboxamide.
What is the SMILES notation for (5R)-N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-5-methyl-5-(trifluoromethyl)oxolane-2-carboxamide?
The canonical SMILES for (5R)-N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-5-methyl-5-(trifluoromethyl)oxolane-2-carboxamide is Cc1nn(C(F)F)cc1NC(=O)C1CC[C@](C)(C(F)(F)F)O1.
What is the InChIKey of (5R)-N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-5-methyl-5-(trifluoromethyl)oxolane-2-carboxamide?
The InChIKey is FFAVRSZJNHSRAK-QHDYGNBISA-N. The full InChI is InChI=1S/C12H14F5N3O2/c1-6-7(5-20(19-6)10(13)14)18-9(21)8-3-4-11(2,22-8)12(15,16)17/h5,8,10H,3-4H2,1-2H3,(H,18,21)/t8?,11-/m1/s1.
What are the key properties of (5R)-N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-5-methyl-5-(trifluoromethyl)oxolane-2-carboxamide?
(5R)-N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-5-methyl-5-(trifluoromethyl)oxolane-2-carboxamide has a molecular weight of 327.25 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-5-methyl-5-(trifluoromethyl)oxolane-2-carboxamide is sourced from PubChem (CID 167211659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).