4-bromo-1-methyl-N-pyridin-4-yl-3-(trifluoromethyl)pyrazole-5-carboxamide

C11H8BrF3N4O — CID 19480929

IUPAC4-bromo-1-methyl-N-pyridin-4-yl-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCn1nc(C(F)(F)F)c(Br)c1C(=O)Nc1ccncc1
InChIInChI=1S/C11H8BrF3N4O/c1-19-8(7(12)9(18-19)11(13,14)15)10(20)17-6-2-4-16-5-3-6/h2-5H,1H3,(H,16,17,20)
InChIKeyJTHBUZQSXCYKFL-UHFFFAOYSA-N
MW349.11 g/mol
LogP2.85
Rot. Bonds2

About 4-bromo-1-methyl-N-pyridin-4-yl-3-(trifluoromethyl)pyrazole-5-carboxamide

4-bromo-1-methyl-N-pyridin-4-yl-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 19480929) has the molecular formula C11H8BrF3N4O and a molecular weight of 349.11 g/mol. Its IUPAC name is 4-bromo-1-methyl-N-pyridin-4-yl-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-bromo-1-methyl-N-pyridin-4-yl-3-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID19480929
Molecular FormulaC11H8BrF3N4O
Molecular Weight349.11 g/mol
Exact Mass347.98
IUPAC Name4-bromo-1-methyl-N-pyridin-4-yl-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCn1nc(C(F)(F)F)c(Br)c1C(=O)Nc1ccncc1
InChIInChI=1S/C11H8BrF3N4O/c1-19-8(7(12)9(18-19)11(13,14)15)10(20)17-6-2-4-16-5-3-6/h2-5H,1H3,(H,16,17,20)
InChIKeyJTHBUZQSXCYKFL-UHFFFAOYSA-N
XLogP2.85
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.11
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-1,3-dimethyl-N-pyridin-4-ylpyrazole-5-carboxamide
CID 19480353
4-bromo-1-methyl-N-[3-[(1-methylpyrazole-3-carbonyl)amino]phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19481136
4-bromo-N-(2-fluoro-5-methylphenyl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19480984
4-bromo-1-methyl-N-(3-nitro-5-pyridin-3-yloxyphenyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19481151
4-bromo-1-methyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19480992
4-bromo-N-(2-hydroxy-4-nitrophenyl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19481190
4-bromo-N-[1-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19481077
N-(2-aminosulfanyl-4-pyridinyl)-1,4-dimethyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 166528595
4-bromo-N-(2-cyano-4-nitrophenyl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19481156
4-bromo-1-methyl-N-[3-(2-methylphenoxy)-5-nitrophenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19481033
4-bromo-N-[3-(2-methoxyphenoxy)-5-nitrophenyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19481124
4-chloro-1-methyl-N-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19481523

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-methyl-N-pyridin-4-yl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of 4-bromo-1-methyl-N-pyridin-4-yl-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 19480929) is 4-bromo-1-methyl-N-pyridin-4-yl-3-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 4-bromo-1-methyl-N-pyridin-4-yl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for 4-bromo-1-methyl-N-pyridin-4-yl-3-(trifluoromethyl)pyrazole-5-carboxamide is Cn1nc(C(F)(F)F)c(Br)c1C(=O)Nc1ccncc1.
What is the InChIKey of 4-bromo-1-methyl-N-pyridin-4-yl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is JTHBUZQSXCYKFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrF3N4O/c1-19-8(7(12)9(18-19)11(13,14)15)10(20)17-6-2-4-16-5-3-6/h2-5H,1H3,(H,16,17,20).
What are the key properties of 4-bromo-1-methyl-N-pyridin-4-yl-3-(trifluoromethyl)pyrazole-5-carboxamide?
4-bromo-1-methyl-N-pyridin-4-yl-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 349.11 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-methyl-N-pyridin-4-yl-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 19480929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).