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

C12H17F2N3O2 — CID 166161004

IUPACN-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-3,5-dimethyloxolane-2-carboxamide
SMILESCc1nn(C(F)F)cc1NC(=O)C1OC(C)CC1C
InChIInChI=1S/C12H17F2N3O2/c1-6-4-7(2)19-10(6)11(18)15-9-5-17(12(13)14)16-8(9)3/h5-7,10,12H,4H2,1-3H3,(H,15,18)
InChIKeyWXTUVAMYIQVILH-UHFFFAOYSA-N
MW273.28 g/mol
LogP2.34
Rot. Bonds3

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

N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-3,5-dimethyloxolane-2-carboxamide (PubChem CID 166161004) has the molecular formula C12H17F2N3O2 and a molecular weight of 273.28 g/mol. Its IUPAC name is N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-3,5-dimethyloxolane-2-carboxamide.

Molecular Properties

Compound NameN-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-3,5-dimethyloxolane-2-carboxamide
PubChem CID166161004
Molecular FormulaC12H17F2N3O2
Molecular Weight273.28 g/mol
Exact Mass273.13
IUPAC NameN-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-3,5-dimethyloxolane-2-carboxamide
SMILESCc1nn(C(F)F)cc1NC(=O)C1OC(C)CC1C
InChIInChI=1S/C12H17F2N3O2/c1-6-4-7(2)19-10(6)11(18)15-9-5-17(12(13)14)16-8(9)3/h5-7,10,12H,4H2,1-3H3,(H,15,18)
InChIKeyWXTUVAMYIQVILH-UHFFFAOYSA-N
XLogP2.34
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.28
LogP ≤ 52.34
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
N-[5-(difluoromethyl)-1-(oxan-2-yl)pyrazol-4-yl]cyclohexanecarboxamide
CID 139539306
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
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
N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]oxolane-2-carboxamide
CID 75358385

Frequently Asked Questions

What is the IUPAC name of N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-3,5-dimethyloxolane-2-carboxamide?
The IUPAC name of N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-3,5-dimethyloxolane-2-carboxamide (CID 166161004) is N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-3,5-dimethyloxolane-2-carboxamide.
What is the SMILES notation for N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-3,5-dimethyloxolane-2-carboxamide?
The canonical SMILES for N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-3,5-dimethyloxolane-2-carboxamide is Cc1nn(C(F)F)cc1NC(=O)C1OC(C)CC1C.
What is the InChIKey of N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-3,5-dimethyloxolane-2-carboxamide?
The InChIKey is WXTUVAMYIQVILH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2N3O2/c1-6-4-7(2)19-10(6)11(18)15-9-5-17(12(13)14)16-8(9)3/h5-7,10,12H,4H2,1-3H3,(H,15,18).
What are the key properties of N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-3,5-dimethyloxolane-2-carboxamide?
N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-3,5-dimethyloxolane-2-carboxamide has a molecular weight of 273.28 g/mol, XLogP of 2.34, 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]-3,5-dimethyloxolane-2-carboxamide is sourced from PubChem (CID 166161004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).