3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,4-dimethyl-6-oxo-1-pyridinyl)propanamide

C15H16BrF3N4O2 — CID 4774432

IUPAC3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,4-dimethyl-6-oxo-1-pyridinyl)propanamide
SMILESCc1cc(C)n(NC(=O)CCn2nc(C(F)(F)F)c(Br)c2C)c(=O)c1
InChIInChI=1S/C15H16BrF3N4O2/c1-8-6-9(2)23(12(25)7-8)20-11(24)4-5-22-10(3)13(16)14(21-22)15(17,18)19/h6-7H,4-5H2,1-3H3,(H,20,24)
InChIKeyVCHOZMQBCINBJB-UHFFFAOYSA-N
MW421.22 g/mol
LogP2.91
Rot. Bonds4

About 3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,4-dimethyl-6-oxo-1-pyridinyl)propanamide

3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,4-dimethyl-6-oxo-1-pyridinyl)propanamide (PubChem CID 4774432) has the molecular formula C15H16BrF3N4O2 and a molecular weight of 421.22 g/mol. Its IUPAC name is 3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,4-dimethyl-6-oxo-1-pyridinyl)propanamide.

Molecular Properties

Compound Name3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,4-dimethyl-6-oxo-1-pyridinyl)propanamide
PubChem CID4774432
Molecular FormulaC15H16BrF3N4O2
Molecular Weight421.22 g/mol
Exact Mass420.04
IUPAC Name3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,4-dimethyl-6-oxo-1-pyridinyl)propanamide
SMILESCc1cc(C)n(NC(=O)CCn2nc(C(F)(F)F)c(Br)c2C)c(=O)c1
InChIInChI=1S/C15H16BrF3N4O2/c1-8-6-9(2)23(12(25)7-8)20-11(24)4-5-22-10(3)13(16)14(21-22)15(17,18)19/h6-7H,4-5H2,1-3H3,(H,20,24)
InChIKeyVCHOZMQBCINBJB-UHFFFAOYSA-N
XLogP2.91
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.22
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(4,6-dimethyl-2-oxopyridin-1(2H)-yl)propanamide
CID 4774177
2-[4-bromo-3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]-N-(4,6-dimethyl-2-oxopyridin-1(2H)-yl)acetamide
CID 4776377
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 39441695
N-(4,6-dimethyl-2-oxohydropyridyl)-3-(4-bromo-5-methylpyrazolyl)propanamide
CID 4774564
4-bromo-N-(4,6-dimethyl-2-oxopyridin-1(2H)-yl)-1,5-dimethyl-1H-pyrazole-3-carboxamide
CID 4774005
5-Amino-1-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]pyridin-2-one
CID 62130909
2-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-4,5-dimethyl-1H-pyridazine-3,6-dione
CID 65858151
2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-4,5-dimethyl-1H-pyridazine-3,6-dione
CID 65872172
5-Amino-1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-4-methylpyridin-2-one
CID 79355863

Frequently Asked Questions

What is the IUPAC name of 3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,4-dimethyl-6-oxo-1-pyridinyl)propanamide?
The IUPAC name of 3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,4-dimethyl-6-oxo-1-pyridinyl)propanamide (CID 4774432) is 3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,4-dimethyl-6-oxo-1-pyridinyl)propanamide.
What is the SMILES notation for 3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,4-dimethyl-6-oxo-1-pyridinyl)propanamide?
The canonical SMILES for 3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,4-dimethyl-6-oxo-1-pyridinyl)propanamide is Cc1cc(C)n(NC(=O)CCn2nc(C(F)(F)F)c(Br)c2C)c(=O)c1.
What is the InChIKey of 3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,4-dimethyl-6-oxo-1-pyridinyl)propanamide?
The InChIKey is VCHOZMQBCINBJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrF3N4O2/c1-8-6-9(2)23(12(25)7-8)20-11(24)4-5-22-10(3)13(16)14(21-22)15(17,18)19/h6-7H,4-5H2,1-3H3,(H,20,24).
What are the key properties of 3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,4-dimethyl-6-oxo-1-pyridinyl)propanamide?
3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,4-dimethyl-6-oxo-1-pyridinyl)propanamide has a molecular weight of 421.22 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,4-dimethyl-6-oxo-1-pyridinyl)propanamide is sourced from PubChem (CID 4774432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).