3-amino-N-[4-bromo-3-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide

C11H8BrF3N4O — CID 64854925

IUPAC3-amino-N-[4-bromo-3-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide
SMILESNc1cc(C(=O)Nc2ccc(Br)c(C(F)(F)F)c2)[nH]n1
InChIInChI=1S/C11H8BrF3N4O/c12-7-2-1-5(3-6(7)11(13,14)15)17-10(20)8-4-9(16)19-18-8/h1-4H,(H,17,20)(H3,16,18,19)
InChIKeyRGMZBMZJGGFLDT-UHFFFAOYSA-N
MW349.11 g/mol
LogP3.03
Rot. Bonds2

About 3-amino-N-[4-bromo-3-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide

3-amino-N-[4-bromo-3-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide (PubChem CID 64854925) has the molecular formula C11H8BrF3N4O and a molecular weight of 349.11 g/mol. Its IUPAC name is 3-amino-N-[4-bromo-3-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-[4-bromo-3-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide
PubChem CID64854925
Molecular FormulaC11H8BrF3N4O
Molecular Weight349.11 g/mol
Exact Mass347.98
IUPAC Name3-amino-N-[4-bromo-3-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide
SMILESNc1cc(C(=O)Nc2ccc(Br)c(C(F)(F)F)c2)[nH]n1
InChIInChI=1S/C11H8BrF3N4O/c12-7-2-1-5(3-6(7)11(13,14)15)17-10(20)8-4-9(16)19-18-8/h1-4H,(H,17,20)(H3,16,18,19)
InChIKeyRGMZBMZJGGFLDT-UHFFFAOYSA-N
XLogP3.03
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.11
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-bromo-3-(trifluoromethyl)phenyl]-4-fluorobenzamide
CID 1095073
6-amino-N-[4-bromo-3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 64854382
4-acetamido-N-[4-bromo-3-(trifluoromethyl)phenyl]benzamide
CID 2579701
4,5-dibromo-N-[4-bromo-3-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 78906787
5-bromo-N-[4-bromo-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 26197896
3-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide
CID 116698677
N-[4-bromo-3-(trifluoromethyl)phenyl]-2,4,6-trimethylbenzamide
CID 2421792
N-[4-bromo-3-(trifluoromethyl)phenyl]-2-(4-fluorophenyl)acetamide
CID 7920389
N-[4-bromo-3-(trifluoromethyl)phenyl]-4-nitrobenzamide
CID 1309008
2-bromo-N-[4-bromo-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 103751889
N-[4-bromo-3-(trifluoromethyl)phenyl]-2-chlorofuran-3-carboxamide
CID 106685898
4-bromo-N-pyridin-4-yl-3-(trifluoromethyl)benzamide
CID 81449888

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-bromo-3-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-amino-N-[4-bromo-3-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide (CID 64854925) is 3-amino-N-[4-bromo-3-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-[4-bromo-3-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-amino-N-[4-bromo-3-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide is Nc1cc(C(=O)Nc2ccc(Br)c(C(F)(F)F)c2)[nH]n1.
What is the InChIKey of 3-amino-N-[4-bromo-3-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide?
The InChIKey is RGMZBMZJGGFLDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrF3N4O/c12-7-2-1-5(3-6(7)11(13,14)15)17-10(20)8-4-9(16)19-18-8/h1-4H,(H,17,20)(H3,16,18,19).
What are the key properties of 3-amino-N-[4-bromo-3-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide?
3-amino-N-[4-bromo-3-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide has a molecular weight of 349.11 g/mol, XLogP of 3.03, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-bromo-3-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 64854925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).