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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Related Compounds

(3R)-3-hydroxy-N-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]pyrrolidine-1-carboxamide
CID 99777369
3-methyl-1-[[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122089359
1-(pyridin-3-ylmethyl)-N-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]piperidine-2-carboxamide
CID 139001876
N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 102557711
(4-aminopiperidin-1-yl)-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]methanone;hydrochloride
CID 119376941
6-(chloromethyl)-N-[4-piperidin-1-yl-2-[[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]carbamoyl]phenyl]pyridine-2-carboxamide
CID 66588270
4-tert-butyl-N-[1-(3-chlorophenyl)pyrazol-3-yl]benzamide
CID 46107035
N-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]oxolane-2-carboxamide
CID 56790114
4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 59436157
1-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]-3-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]urea
CID 155947926
[(2S,4S)-4-amino-2-methylpiperidin-1-yl]-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]methanone
CID 124692654
N-(1H-pyrazol-5-yl)-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 56793948

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).