3-(3-bromo-4-cyanopyrazol-1-yl)-N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-2-hydroxy-2-methylpropanamide

C15H10BrF3N6O2 — CID 146315099

IUPAC3-(3-bromo-4-cyanopyrazol-1-yl)-N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-2-hydroxy-2-methylpropanamide
SMILESCC(O)(Cn1cc(C#N)c(Br)n1)C(=O)Nc1cnc(C#N)c(C(F)(F)F)c1
InChIInChI=1S/C15H10BrF3N6O2/c1-14(27,7-25-6-8(3-20)12(16)24-25)13(26)23-9-2-10(15(17,18)19)11(4-21)22-5-9/h2,5-6,27H,7H2,1H3,(H,23,26)
InChIKeyNYTGRTXXKARMOU-UHFFFAOYSA-N
MW443.18 g/mol
LogP2.19
Rot. Bonds4

About 3-(3-bromo-4-cyanopyrazol-1-yl)-N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-2-hydroxy-2-methylpropanamide

3-(3-bromo-4-cyanopyrazol-1-yl)-N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-2-hydroxy-2-methylpropanamide (PubChem CID 146315099) has the molecular formula C15H10BrF3N6O2 and a molecular weight of 443.18 g/mol. Its IUPAC name is 3-(3-bromo-4-cyanopyrazol-1-yl)-N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-2-hydroxy-2-methylpropanamide.

Molecular Properties

Compound Name3-(3-bromo-4-cyanopyrazol-1-yl)-N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-2-hydroxy-2-methylpropanamide
PubChem CID146315099
Molecular FormulaC15H10BrF3N6O2
Molecular Weight443.18 g/mol
Exact Mass442.00
IUPAC Name3-(3-bromo-4-cyanopyrazol-1-yl)-N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-2-hydroxy-2-methylpropanamide
SMILESCC(O)(Cn1cc(C#N)c(Br)n1)C(=O)Nc1cnc(C#N)c(C(F)(F)F)c1
InChIInChI=1S/C15H10BrF3N6O2/c1-14(27,7-25-6-8(3-20)12(16)24-25)13(26)23-9-2-10(15(17,18)19)11(4-21)22-5-9/h2,5-6,27H,7H2,1H3,(H,23,26)
InChIKeyNYTGRTXXKARMOU-UHFFFAOYSA-N
XLogP2.19
TPSA127.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.18
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(2S)-3-(3-bromo-4-cyanopyrazol-1-yl)-N-[4-cyano-2-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide
CID 146315100
N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-3-(3,5-difluoroindazol-1-yl)-2-hydroxy-2-methylpropanamide
CID 138611575
3-(4-bromopyrazol-1-yl)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide
CID 137405489
N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-3-(5-fluoro-3-methylindazol-1-yl)-2-hydroxy-2-methylpropanamide
CID 175373793
3-azido-N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-2-hydroxy-2-methylpropanamide
CID 137405477
(2S)-3-[3-chloro-4-(trifluoromethyl)indazol-1-yl]-N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-2-hydroxy-2-methylpropanamide
CID 156841942
(2S)-3-(3-chloro-5-fluoroindazol-1-yl)-N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-2-hydroxy-2-methylpropanamide
CID 156841929
N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-2-hydroxy-2-methyl-3-(4-methylphenyl)sulfonylpropanamide
CID 118614924
(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-[7-(trifluoromethyl)indazol-2-yl]propanamide
CID 126537651
(2S)-3-amino-N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-2-hydroxypropanamide
CID 153366038
(2R)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluoropyrazol-1-yl)-2-hydroxy-2-methylpropanamide;(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(3-fluoropyrrol-1-yl)-2-hydroxy-2-methylpropanamide;(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-morpholin-4-ylpropanamide;(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-(1,2,4-triazol-1-yl)propanamide;(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-[4-(trifluoromethyl)pyrazol-1-yl]propanamide;(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]propanamide;(2S)-N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-3-(4-fluoropyrazol-1-yl)-2-hydroxy-2-methylpropanamide
CID 159928424
(2R)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylbutanamide
CID 130331138

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-4-cyanopyrazol-1-yl)-N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-2-hydroxy-2-methylpropanamide?
The IUPAC name of 3-(3-bromo-4-cyanopyrazol-1-yl)-N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-2-hydroxy-2-methylpropanamide (CID 146315099) is 3-(3-bromo-4-cyanopyrazol-1-yl)-N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-2-hydroxy-2-methylpropanamide.
What is the SMILES notation for 3-(3-bromo-4-cyanopyrazol-1-yl)-N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-2-hydroxy-2-methylpropanamide?
The canonical SMILES for 3-(3-bromo-4-cyanopyrazol-1-yl)-N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-2-hydroxy-2-methylpropanamide is CC(O)(Cn1cc(C#N)c(Br)n1)C(=O)Nc1cnc(C#N)c(C(F)(F)F)c1.
What is the InChIKey of 3-(3-bromo-4-cyanopyrazol-1-yl)-N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-2-hydroxy-2-methylpropanamide?
The InChIKey is NYTGRTXXKARMOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrF3N6O2/c1-14(27,7-25-6-8(3-20)12(16)24-25)13(26)23-9-2-10(15(17,18)19)11(4-21)22-5-9/h2,5-6,27H,7H2,1H3,(H,23,26).
What are the key properties of 3-(3-bromo-4-cyanopyrazol-1-yl)-N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-2-hydroxy-2-methylpropanamide?
3-(3-bromo-4-cyanopyrazol-1-yl)-N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-2-hydroxy-2-methylpropanamide has a molecular weight of 443.18 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-4-cyanopyrazol-1-yl)-N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-2-hydroxy-2-methylpropanamide is sourced from PubChem (CID 146315099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).