(2R,3R,4S)-N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-3-ethyl-4,5,5-trimethyloxolane-2-carboxamide

C15H23F2N3O2 — CID 166160375

IUPAC(2R,3R,4S)-N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-3-ethyl-4,5,5-trimethyloxolane-2-carboxamide
SMILESCC[C@H]1[C@H](C(=O)Nc2cn(C(F)F)nc2C)OC(C)(C)[C@H]1C
InChIInChI=1S/C15H23F2N3O2/c1-6-10-8(2)15(4,5)22-12(10)13(21)18-11-7-20(14(16)17)19-9(11)3/h7-8,10,12,14H,6H2,1-5H3,(H,18,21)/t8-,10+,12+/m0/s1
InChIKeyAQJGATMJVBNHMD-MKPLZMMCSA-N
MW315.36 g/mol
LogP3.36
Rot. Bonds4

About (2R,3R,4S)-N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-3-ethyl-4,5,5-trimethyloxolane-2-carboxamide

(2R,3R,4S)-N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-3-ethyl-4,5,5-trimethyloxolane-2-carboxamide (PubChem CID 166160375) has the molecular formula C15H23F2N3O2 and a molecular weight of 315.36 g/mol. Its IUPAC name is (2R,3R,4S)-N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-3-ethyl-4,5,5-trimethyloxolane-2-carboxamide.

Molecular Properties

Compound Name(2R,3R,4S)-N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-3-ethyl-4,5,5-trimethyloxolane-2-carboxamide
PubChem CID166160375
Molecular FormulaC15H23F2N3O2
Molecular Weight315.36 g/mol
Exact Mass315.18
IUPAC Name(2R,3R,4S)-N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-3-ethyl-4,5,5-trimethyloxolane-2-carboxamide
SMILESCC[C@H]1[C@H](C(=O)Nc2cn(C(F)F)nc2C)OC(C)(C)[C@H]1C
InChIInChI=1S/C15H23F2N3O2/c1-6-10-8(2)15(4,5)22-12(10)13(21)18-11-7-20(14(16)17)19-9(11)3/h7-8,10,12,14H,6H2,1-5H3,(H,18,21)/t8-,10+,12+/m0/s1
InChIKeyAQJGATMJVBNHMD-MKPLZMMCSA-N
XLogP3.36
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.36
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S)-N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-3-ethyl-4,5,5-trimethyloxolane-2-carboxamide?
The IUPAC name of (2R,3R,4S)-N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-3-ethyl-4,5,5-trimethyloxolane-2-carboxamide (CID 166160375) is (2R,3R,4S)-N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-3-ethyl-4,5,5-trimethyloxolane-2-carboxamide.
What is the SMILES notation for (2R,3R,4S)-N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-3-ethyl-4,5,5-trimethyloxolane-2-carboxamide?
The canonical SMILES for (2R,3R,4S)-N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-3-ethyl-4,5,5-trimethyloxolane-2-carboxamide is CC[C@H]1[C@H](C(=O)Nc2cn(C(F)F)nc2C)OC(C)(C)[C@H]1C.
What is the InChIKey of (2R,3R,4S)-N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-3-ethyl-4,5,5-trimethyloxolane-2-carboxamide?
The InChIKey is AQJGATMJVBNHMD-MKPLZMMCSA-N. The full InChI is InChI=1S/C15H23F2N3O2/c1-6-10-8(2)15(4,5)22-12(10)13(21)18-11-7-20(14(16)17)19-9(11)3/h7-8,10,12,14H,6H2,1-5H3,(H,18,21)/t8-,10+,12+/m0/s1.
What are the key properties of (2R,3R,4S)-N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-3-ethyl-4,5,5-trimethyloxolane-2-carboxamide?
(2R,3R,4S)-N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-3-ethyl-4,5,5-trimethyloxolane-2-carboxamide has a molecular weight of 315.36 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S)-N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-3-ethyl-4,5,5-trimethyloxolane-2-carboxamide is sourced from PubChem (CID 166160375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).