2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(5-pyridin-4-ylpyrazolidin-3-yl)propanamide

C16H18BrF3N6O — CID 133269159

IUPAC2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(5-pyridin-4-ylpyrazolidin-3-yl)propanamide
SMILESCc1c(Br)c(C(F)(F)F)nn1C(C)C(=O)NC1CC(c2ccncc2)NN1
InChIInChI=1S/C16H18BrF3N6O/c1-8-13(17)14(16(18,19)20)25-26(8)9(2)15(27)22-12-7-11(23-24-12)10-3-5-21-6-4-10/h3-6,9,11-12,23-24H,7H2,1-2H3,(H,22,27)
InChIKeyAHDFPXWSXICIKH-UHFFFAOYSA-N
MW447.26 g/mol
LogP2.61
Rot. Bonds4

About 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(5-pyridin-4-ylpyrazolidin-3-yl)propanamide

2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(5-pyridin-4-ylpyrazolidin-3-yl)propanamide (PubChem CID 133269159) has the molecular formula C16H18BrF3N6O and a molecular weight of 447.26 g/mol. Its IUPAC name is 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(5-pyridin-4-ylpyrazolidin-3-yl)propanamide.

Molecular Properties

Compound Name2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(5-pyridin-4-ylpyrazolidin-3-yl)propanamide
PubChem CID133269159
Molecular FormulaC16H18BrF3N6O
Molecular Weight447.26 g/mol
Exact Mass446.07
IUPAC Name2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(5-pyridin-4-ylpyrazolidin-3-yl)propanamide
SMILESCc1c(Br)c(C(F)(F)F)nn1C(C)C(=O)NC1CC(c2ccncc2)NN1
InChIInChI=1S/C16H18BrF3N6O/c1-8-13(17)14(16(18,19)20)25-26(8)9(2)15(27)22-12-7-11(23-24-12)10-3-5-21-6-4-10/h3-6,9,11-12,23-24H,7H2,1-2H3,(H,22,27)
InChIKeyAHDFPXWSXICIKH-UHFFFAOYSA-N
XLogP2.61
TPSA83.87 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.26
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-phenylpropanamide
CID 35529151
2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-methyl-2-pyridinyl)propanamide
CID 45154060
N-(1-adamantyl)-2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 19532411
2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(furan-2-ylmethyl)propanamide
CID 19532503
2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-fluoro-5-methylphenyl)propanamide
CID 19532486
2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]propanamide
CID 19532570
1,3-dimethyl-N-(5-pyridin-4-ylpyrazolidin-3-yl)pyrazole-4-carboxamide
CID 133269158
(2S)-2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]propanamide
CID 40622218
methyl 4-[2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1,3-dimethylpyrazole-5-carboxylate
CID 110280779
2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide
CID 19532404
2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(2-ethylpyrazol-3-yl)ethyl]propanamide
CID 19532635
2-(4-bromophenyl)-N-(5-pyridin-4-ylpyrazolidin-3-yl)acetamide
CID 133269205

Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(5-pyridin-4-ylpyrazolidin-3-yl)propanamide?
The IUPAC name of 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(5-pyridin-4-ylpyrazolidin-3-yl)propanamide (CID 133269159) is 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(5-pyridin-4-ylpyrazolidin-3-yl)propanamide.
What is the SMILES notation for 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(5-pyridin-4-ylpyrazolidin-3-yl)propanamide?
The canonical SMILES for 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(5-pyridin-4-ylpyrazolidin-3-yl)propanamide is Cc1c(Br)c(C(F)(F)F)nn1C(C)C(=O)NC1CC(c2ccncc2)NN1.
What is the InChIKey of 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(5-pyridin-4-ylpyrazolidin-3-yl)propanamide?
The InChIKey is AHDFPXWSXICIKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrF3N6O/c1-8-13(17)14(16(18,19)20)25-26(8)9(2)15(27)22-12-7-11(23-24-12)10-3-5-21-6-4-10/h3-6,9,11-12,23-24H,7H2,1-2H3,(H,22,27).
What are the key properties of 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(5-pyridin-4-ylpyrazolidin-3-yl)propanamide?
2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(5-pyridin-4-ylpyrazolidin-3-yl)propanamide has a molecular weight of 447.26 g/mol, XLogP of 2.61, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(5-pyridin-4-ylpyrazolidin-3-yl)propanamide is sourced from PubChem (CID 133269159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).