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

C13H16F5N3O2 — CID 175806044

IUPACN-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide
SMILESCc1nn(C(F)F)cc1NC(=O)C1CC(C)C(C)(C(F)(F)F)O1
InChIInChI=1S/C13H16F5N3O2/c1-6-4-9(23-12(6,3)13(16,17)18)10(22)19-8-5-21(11(14)15)20-7(8)2/h5-6,9,11H,4H2,1-3H3,(H,19,22)
InChIKeyDVDCHWFADVSBKH-UHFFFAOYSA-N
MW341.28 g/mol
LogP3.27
Rot. Bonds3

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

N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide (PubChem CID 175806044) has the molecular formula C13H16F5N3O2 and a molecular weight of 341.28 g/mol. Its IUPAC name is N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide
PubChem CID175806044
Molecular FormulaC13H16F5N3O2
Molecular Weight341.28 g/mol
Exact Mass341.12
IUPAC NameN-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide
SMILESCc1nn(C(F)F)cc1NC(=O)C1CC(C)C(C)(C(F)(F)F)O1
InChIInChI=1S/C13H16F5N3O2/c1-6-4-9(23-12(6,3)13(16,17)18)10(22)19-8-5-21(11(14)15)20-7(8)2/h5-6,9,11H,4H2,1-3H3,(H,19,22)
InChIKeyDVDCHWFADVSBKH-UHFFFAOYSA-N
XLogP3.27
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.28
LogP ≤ 53.27
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
(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
5-methyl-N-(3-methyl-1-methylsulfonylpyrazol-4-yl)-5-(trifluoromethyl)oxolane-2-carboxamide
CID 175806114
2-(3-methylcyclohexyl)oxy-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]acetamide
CID 86780893
2-[(1S,3R)-3-methylcyclohexyl]oxy-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]acetamide
CID 99776417
2-[(1S,3S)-3-methylcyclohexyl]oxy-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]acetamide
CID 99776418
2-[(1R,3R)-3-methylcyclohexyl]oxy-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]acetamide
CID 99776419
2-[(1R,3S)-3-methylcyclohexyl]oxy-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]acetamide
CID 99776420

Frequently Asked Questions

What is the IUPAC name of N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide?
The IUPAC name of N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide (CID 175806044) is N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide.
What is the SMILES notation for N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide?
The canonical SMILES for N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide is Cc1nn(C(F)F)cc1NC(=O)C1CC(C)C(C)(C(F)(F)F)O1.
What is the InChIKey of N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide?
The InChIKey is DVDCHWFADVSBKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F5N3O2/c1-6-4-9(23-12(6,3)13(16,17)18)10(22)19-8-5-21(11(14)15)20-7(8)2/h5-6,9,11H,4H2,1-3H3,(H,19,22).
What are the key properties of N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide?
N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide has a molecular weight of 341.28 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide is sourced from PubChem (CID 175806044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).