2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-(2-methyloxolan-3-yl)propanamide

C15H22F3N3O2 — CID 75517525

IUPAC2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-(2-methyloxolan-3-yl)propanamide
SMILESCc1nn(CC(F)(F)F)c(C)c1C(C)C(=O)NC1CCOC1C
InChIInChI=1S/C15H22F3N3O2/c1-8(14(22)19-12-5-6-23-11(12)4)13-9(2)20-21(10(13)3)7-15(16,17)18/h8,11-12H,5-7H2,1-4H3,(H,19,22)
InChIKeyHTZGUTPBIHVYFV-UHFFFAOYSA-N
MW333.35 g/mol
LogP2.46
Rot. Bonds4

About 2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-(2-methyloxolan-3-yl)propanamide

2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-(2-methyloxolan-3-yl)propanamide (PubChem CID 75517525) has the molecular formula C15H22F3N3O2 and a molecular weight of 333.35 g/mol. Its IUPAC name is 2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-(2-methyloxolan-3-yl)propanamide.

Molecular Properties

Compound Name2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-(2-methyloxolan-3-yl)propanamide
PubChem CID75517525
Molecular FormulaC15H22F3N3O2
Molecular Weight333.35 g/mol
Exact Mass333.17
IUPAC Name2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-(2-methyloxolan-3-yl)propanamide
SMILESCc1nn(CC(F)(F)F)c(C)c1C(C)C(=O)NC1CCOC1C
InChIInChI=1S/C15H22F3N3O2/c1-8(14(22)19-12-5-6-23-11(12)4)13-9(2)20-21(10(13)3)7-15(16,17)18/h8,11-12H,5-7H2,1-4H3,(H,19,22)
InChIKeyHTZGUTPBIHVYFV-UHFFFAOYSA-N
XLogP2.46
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-(2-methyloxolan-3-yl)propanamide?
The IUPAC name of 2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-(2-methyloxolan-3-yl)propanamide (CID 75517525) is 2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-(2-methyloxolan-3-yl)propanamide.
What is the SMILES notation for 2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-(2-methyloxolan-3-yl)propanamide?
The canonical SMILES for 2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-(2-methyloxolan-3-yl)propanamide is Cc1nn(CC(F)(F)F)c(C)c1C(C)C(=O)NC1CCOC1C.
What is the InChIKey of 2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-(2-methyloxolan-3-yl)propanamide?
The InChIKey is HTZGUTPBIHVYFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3N3O2/c1-8(14(22)19-12-5-6-23-11(12)4)13-9(2)20-21(10(13)3)7-15(16,17)18/h8,11-12H,5-7H2,1-4H3,(H,19,22).
What are the key properties of 2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-(2-methyloxolan-3-yl)propanamide?
2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-(2-methyloxolan-3-yl)propanamide has a molecular weight of 333.35 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-(2-methyloxolan-3-yl)propanamide is sourced from PubChem (CID 75517525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).