4-bromo-1-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide

C15H22BrF3N4O — CID 4770714

IUPAC4-bromo-1-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCn1nc(C(F)(F)F)c(Br)c1C(=O)NC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C15H22BrF3N4O/c1-13(2)6-8(7-14(3,4)22-13)20-12(24)10-9(16)11(15(17,18)19)21-23(10)5/h8,22H,6-7H2,1-5H3,(H,20,24)
InChIKeyZZYKFENOLRVZNF-UHFFFAOYSA-N
MW411.27 g/mol
LogP3.24
Rot. Bonds2

About 4-bromo-1-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide

4-bromo-1-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 4770714) has the molecular formula C15H22BrF3N4O and a molecular weight of 411.27 g/mol. Its IUPAC name is 4-bromo-1-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-bromo-1-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID4770714
Molecular FormulaC15H22BrF3N4O
Molecular Weight411.27 g/mol
Exact Mass410.09
IUPAC Name4-bromo-1-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCn1nc(C(F)(F)F)c(Br)c1C(=O)NC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C15H22BrF3N4O/c1-13(2)6-8(7-14(3,4)22-13)20-12(24)10-9(16)11(15(17,18)19)21-23(10)5/h8,22H,6-7H2,1-5H3,(H,20,24)
InChIKeyZZYKFENOLRVZNF-UHFFFAOYSA-N
XLogP3.24
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.27
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-Bromo-1,3-dimethyl-N~5~-(1-methyl-2-morpholinoethyl)-1H-pyrazole-5-carboxamide
CID 4770997
4-bromo-N-tert-butyl-1,3-dimethylpyrazole-5-carboxamide
CID 15766811
4-bromo-N-cyclopropyl-1,3-dimethyl-1H-pyrazole-5-carboxamide
CID 19577803
4-bromo-1,5-dimethyl-N-(propan-2-yl)-1H-pyrazole-3-carboxamide
CID 19578021
[4-Bromo-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-YL](4-methylpiperazino)methanone
CID 4767862
4-bromo-1-methyl-N-(1-methylpiperidin-4-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 4768998
2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1-methylpiperidin-4-yl)propanamide
CID 4770618
4-chloro-1-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 4771106
2-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 4772030
[4-Bromo-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-YL](2,6-dimethylpiperidino)methanone
CID 19575580
4-bromo-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]amino]-4-methyl-1-oxopentan-2-yl]-1-ethyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 167065173
4-bromo-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]amino]-5,5,5-trifluoro-1-oxo-4,4-bis(trifluoromethyl)pentan-2-yl]-1-ethyl-3-methylpyrazole-5-carboxamide
CID 167278824

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of 4-bromo-1-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 4770714) is 4-bromo-1-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 4-bromo-1-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for 4-bromo-1-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide is Cn1nc(C(F)(F)F)c(Br)c1C(=O)NC1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 4-bromo-1-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is ZZYKFENOLRVZNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrF3N4O/c1-13(2)6-8(7-14(3,4)22-13)20-12(24)10-9(16)11(15(17,18)19)21-23(10)5/h8,22H,6-7H2,1-5H3,(H,20,24).
What are the key properties of 4-bromo-1-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide?
4-bromo-1-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 411.27 g/mol, XLogP of 3.24, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 4770714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).