2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-propan-2-ylpropanamide

C12H18F3N3O — CID 5241859

IUPAC2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-propan-2-ylpropanamide
SMILESCc1cc(C(F)(F)F)nn1CC(C)C(=O)NC(C)C
InChIInChI=1S/C12H18F3N3O/c1-7(2)16-11(19)8(3)6-18-9(4)5-10(17-18)12(13,14)15/h5,7-8H,6H2,1-4H3,(H,16,19)
InChIKeyDZIFXLOAMYJHSQ-UHFFFAOYSA-N
MW277.29 g/mol
LogP2.37
Rot. Bonds4

About 2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-propan-2-ylpropanamide

2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-propan-2-ylpropanamide (PubChem CID 5241859) has the molecular formula C12H18F3N3O and a molecular weight of 277.29 g/mol. Its IUPAC name is 2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-propan-2-ylpropanamide
PubChem CID5241859
Molecular FormulaC12H18F3N3O
Molecular Weight277.29 g/mol
Exact Mass277.14
IUPAC Name2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-propan-2-ylpropanamide
SMILESCc1cc(C(F)(F)F)nn1CC(C)C(=O)NC(C)C
InChIInChI=1S/C12H18F3N3O/c1-7(2)16-11(19)8(3)6-18-9(4)5-10(17-18)12(13,14)15/h5,7-8H,6H2,1-4H3,(H,16,19)
InChIKeyDZIFXLOAMYJHSQ-UHFFFAOYSA-N
XLogP2.37
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-propan-2-ylpropanamide?
The IUPAC name of 2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-propan-2-ylpropanamide (CID 5241859) is 2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-propan-2-ylpropanamide?
The canonical SMILES for 2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-propan-2-ylpropanamide is Cc1cc(C(F)(F)F)nn1CC(C)C(=O)NC(C)C.
What is the InChIKey of 2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-propan-2-ylpropanamide?
The InChIKey is DZIFXLOAMYJHSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3O/c1-7(2)16-11(19)8(3)6-18-9(4)5-10(17-18)12(13,14)15/h5,7-8H,6H2,1-4H3,(H,16,19).
What are the key properties of 2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-propan-2-ylpropanamide?
2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-propan-2-ylpropanamide has a molecular weight of 277.29 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-propan-2-ylpropanamide is sourced from PubChem (CID 5241859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).