2-(4-aminopyrazol-1-yl)-N-[4-bromo-2-(trifluoromethyl)phenyl]acetamide

C12H10BrF3N4O — CID 60790791

IUPAC2-(4-aminopyrazol-1-yl)-N-[4-bromo-2-(trifluoromethyl)phenyl]acetamide
SMILESNc1cnn(CC(=O)Nc2ccc(Br)cc2C(F)(F)F)c1
InChIInChI=1S/C12H10BrF3N4O/c13-7-1-2-10(9(3-7)12(14,15)16)19-11(21)6-20-5-8(17)4-18-20/h1-5H,6,17H2,(H,19,21)
InChIKeyRKRGSIFPYANQGH-UHFFFAOYSA-N
MW363.14 g/mol
LogP2.89
Rot. Bonds3

About 2-(4-aminopyrazol-1-yl)-N-[4-bromo-2-(trifluoromethyl)phenyl]acetamide

2-(4-aminopyrazol-1-yl)-N-[4-bromo-2-(trifluoromethyl)phenyl]acetamide (PubChem CID 60790791) has the molecular formula C12H10BrF3N4O and a molecular weight of 363.14 g/mol. Its IUPAC name is 2-(4-aminopyrazol-1-yl)-N-[4-bromo-2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-aminopyrazol-1-yl)-N-[4-bromo-2-(trifluoromethyl)phenyl]acetamide
PubChem CID60790791
Molecular FormulaC12H10BrF3N4O
Molecular Weight363.14 g/mol
Exact Mass362.00
IUPAC Name2-(4-aminopyrazol-1-yl)-N-[4-bromo-2-(trifluoromethyl)phenyl]acetamide
SMILESNc1cnn(CC(=O)Nc2ccc(Br)cc2C(F)(F)F)c1
InChIInChI=1S/C12H10BrF3N4O/c13-7-1-2-10(9(3-7)12(14,15)16)19-11(21)6-20-5-8(17)4-18-20/h1-5H,6,17H2,(H,19,21)
InChIKeyRKRGSIFPYANQGH-UHFFFAOYSA-N
XLogP2.89
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.14
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[4-bromo-2-(trifluoromethyl)anilino]ethyl]pyrazol-4-amine
CID 115320075
2-(4-aminopyrazol-1-yl)-N-(2-bromo-4-chlorophenyl)acetamide
CID 81262636
N-[4-bromo-2-(trifluoromethyl)phenyl]-2-chloroacetamide
CID 2779486
N-[4-bromo-2-(trifluoromethyl)phenyl]-2-piperazin-1-ylacetamide
CID 60792385
N-[4-bromo-2-(trifluoromethyl)phenyl]butanamide
CID 64590919
2-(4-aminopyrazol-1-yl)-N-(3-bromoquinolin-8-yl)acetamide
CID 116782974
2-(4-aminopyrazol-1-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
CID 62879757
2-(4-aminopyrazol-1-yl)-N-(2,5-dichlorophenyl)acetamide
CID 43382443
N-[4-bromo-2-(trifluoromethyl)phenyl]-2,2-difluoroacetamide
CID 103515406
2-(4-aminopyrazol-1-yl)-N-(4-bromo-3-iodophenyl)acetamide
CID 114258348
1-[2-(4-amino-2-bromoanilino)-2-oxoethyl]pyrazole-4-carboxamide
CID 64780088
4-amino-N-[4-bromo-2-(trifluoromethyl)phenyl]-1-methylpyrazole-3-carboxamide
CID 65355175

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminopyrazol-1-yl)-N-[4-bromo-2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(4-aminopyrazol-1-yl)-N-[4-bromo-2-(trifluoromethyl)phenyl]acetamide (CID 60790791) is 2-(4-aminopyrazol-1-yl)-N-[4-bromo-2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-aminopyrazol-1-yl)-N-[4-bromo-2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(4-aminopyrazol-1-yl)-N-[4-bromo-2-(trifluoromethyl)phenyl]acetamide is Nc1cnn(CC(=O)Nc2ccc(Br)cc2C(F)(F)F)c1.
What is the InChIKey of 2-(4-aminopyrazol-1-yl)-N-[4-bromo-2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is RKRGSIFPYANQGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrF3N4O/c13-7-1-2-10(9(3-7)12(14,15)16)19-11(21)6-20-5-8(17)4-18-20/h1-5H,6,17H2,(H,19,21).
What are the key properties of 2-(4-aminopyrazol-1-yl)-N-[4-bromo-2-(trifluoromethyl)phenyl]acetamide?
2-(4-aminopyrazol-1-yl)-N-[4-bromo-2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 363.14 g/mol, XLogP of 2.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminopyrazol-1-yl)-N-[4-bromo-2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 60790791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).