5,5-dimethyl-N-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]oxolane-2-carboxamide

C17H18F3N3O2 — CID 139008920

IUPAC5,5-dimethyl-N-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]oxolane-2-carboxamide
SMILESCC1(C)CCC(C(=O)Nc2ccn(-c3cccc(C(F)(F)F)c3)n2)O1
InChIInChI=1S/C17H18F3N3O2/c1-16(2)8-6-13(25-16)15(24)21-14-7-9-23(22-14)12-5-3-4-11(10-12)17(18,19)20/h3-5,7,9-10,13H,6,8H2,1-2H3,(H,21,22,24)
InChIKeyJOUIHAUFCZSXAW-UHFFFAOYSA-N
MW353.34 g/mol
LogP3.79
Rot. Bonds3

About 5,5-dimethyl-N-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]oxolane-2-carboxamide

5,5-dimethyl-N-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]oxolane-2-carboxamide (PubChem CID 139008920) has the molecular formula C17H18F3N3O2 and a molecular weight of 353.34 g/mol. Its IUPAC name is 5,5-dimethyl-N-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]oxolane-2-carboxamide.

Molecular Properties

Compound Name5,5-dimethyl-N-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]oxolane-2-carboxamide
PubChem CID139008920
Molecular FormulaC17H18F3N3O2
Molecular Weight353.34 g/mol
Exact Mass353.14
IUPAC Name5,5-dimethyl-N-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]oxolane-2-carboxamide
SMILESCC1(C)CCC(C(=O)Nc2ccn(-c3cccc(C(F)(F)F)c3)n2)O1
InChIInChI=1S/C17H18F3N3O2/c1-16(2)8-6-13(25-16)15(24)21-14-7-9-23(22-14)12-5-3-4-11(10-12)17(18,19)20/h3-5,7,9-10,13H,6,8H2,1-2H3,(H,21,22,24)
InChIKeyJOUIHAUFCZSXAW-UHFFFAOYSA-N
XLogP3.79
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.34
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-N-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]oxolane-2-carboxamide?
The IUPAC name of 5,5-dimethyl-N-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]oxolane-2-carboxamide (CID 139008920) is 5,5-dimethyl-N-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]oxolane-2-carboxamide.
What is the SMILES notation for 5,5-dimethyl-N-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]oxolane-2-carboxamide?
The canonical SMILES for 5,5-dimethyl-N-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]oxolane-2-carboxamide is CC1(C)CCC(C(=O)Nc2ccn(-c3cccc(C(F)(F)F)c3)n2)O1.
What is the InChIKey of 5,5-dimethyl-N-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]oxolane-2-carboxamide?
The InChIKey is JOUIHAUFCZSXAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O2/c1-16(2)8-6-13(25-16)15(24)21-14-7-9-23(22-14)12-5-3-4-11(10-12)17(18,19)20/h3-5,7,9-10,13H,6,8H2,1-2H3,(H,21,22,24).
What are the key properties of 5,5-dimethyl-N-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]oxolane-2-carboxamide?
5,5-dimethyl-N-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]oxolane-2-carboxamide has a molecular weight of 353.34 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-N-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]oxolane-2-carboxamide is sourced from PubChem (CID 139008920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).