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

C13H16F5N3O2 — CID 171613851

IUPAC2-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide
SMILESCc1nn(C(F)F)cc1C1(C(N)=O)CC(C)C(C)(C(F)(F)F)O1
InChIInChI=1S/C13H16F5N3O2/c1-6-4-12(9(19)22,23-11(6,3)13(16,17)18)8-5-21(10(14)15)20-7(8)2/h5-6,10H,4H2,1-3H3,(H2,19,22)
InChIKeyWVPVOPYTAAYWAD-UHFFFAOYSA-N
MW341.28 g/mol
LogP2.64
Rot. Bonds3

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

2-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide (PubChem CID 171613851) has the molecular formula C13H16F5N3O2 and a molecular weight of 341.28 g/mol. Its IUPAC name is 2-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide.

Molecular Properties

Compound Name2-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide
PubChem CID171613851
Molecular FormulaC13H16F5N3O2
Molecular Weight341.28 g/mol
Exact Mass341.12
IUPAC Name2-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide
SMILESCc1nn(C(F)F)cc1C1(C(N)=O)CC(C)C(C)(C(F)(F)F)O1
InChIInChI=1S/C13H16F5N3O2/c1-6-4-12(9(19)22,23-11(6,3)13(16,17)18)8-5-21(10(14)15)20-7(8)2/h5-6,10H,4H2,1-3H3,(H2,19,22)
InChIKeyWVPVOPYTAAYWAD-UHFFFAOYSA-N
XLogP2.64
TPSA70.14 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 ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide?
The IUPAC name of 2-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide (CID 171613851) is 2-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide.
What is the SMILES notation for 2-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide?
The canonical SMILES for 2-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide is Cc1nn(C(F)F)cc1C1(C(N)=O)CC(C)C(C)(C(F)(F)F)O1.
What is the InChIKey of 2-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide?
The InChIKey is WVPVOPYTAAYWAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F5N3O2/c1-6-4-12(9(19)22,23-11(6,3)13(16,17)18)8-5-21(10(14)15)20-7(8)2/h5-6,10H,4H2,1-3H3,(H2,19,22).
What are the key properties of 2-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide?
2-[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 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide is sourced from PubChem (CID 171613851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).