4-amino-N-(2-bromo-5-fluorophenyl)-1-ethylpyrazole-3-carboxamide

C12H12BrFN4O — CID 107624222

IUPAC4-amino-N-(2-bromo-5-fluorophenyl)-1-ethylpyrazole-3-carboxamide
SMILESCCn1cc(N)c(C(=O)Nc2cc(F)ccc2Br)n1
InChIInChI=1S/C12H12BrFN4O/c1-2-18-6-9(15)11(17-18)12(19)16-10-5-7(14)3-4-8(10)13/h3-6H,2,15H2,1H3,(H,16,19)
InChIKeyZJFVKPFEWFJPMW-UHFFFAOYSA-N
MW327.16 g/mol
LogP2.64
Rot. Bonds3

About 4-amino-N-(2-bromo-5-fluorophenyl)-1-ethylpyrazole-3-carboxamide

4-amino-N-(2-bromo-5-fluorophenyl)-1-ethylpyrazole-3-carboxamide (PubChem CID 107624222) has the molecular formula C12H12BrFN4O and a molecular weight of 327.16 g/mol. Its IUPAC name is 4-amino-N-(2-bromo-5-fluorophenyl)-1-ethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-bromo-5-fluorophenyl)-1-ethylpyrazole-3-carboxamide
PubChem CID107624222
Molecular FormulaC12H12BrFN4O
Molecular Weight327.16 g/mol
Exact Mass326.02
IUPAC Name4-amino-N-(2-bromo-5-fluorophenyl)-1-ethylpyrazole-3-carboxamide
SMILESCCn1cc(N)c(C(=O)Nc2cc(F)ccc2Br)n1
InChIInChI=1S/C12H12BrFN4O/c1-2-18-6-9(15)11(17-18)12(19)16-10-5-7(14)3-4-8(10)13/h3-6H,2,15H2,1H3,(H,16,19)
InChIKeyZJFVKPFEWFJPMW-UHFFFAOYSA-N
XLogP2.64
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.16
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(2-bromo-5-methylphenyl)-1-ethylpyrazole-3-carboxamide
CID 82762231
4-amino-N-(5-bromo-2,4-difluorophenyl)-1-ethylpyrazole-3-carboxamide
CID 102852362
4-amino-N-(5-bromo-2-chlorophenyl)-1-ethylpyrazole-3-carboxamide
CID 65358030
4-amino-N-(2,3-difluorophenyl)-1-ethylpyrazole-3-carboxamide
CID 65357898
4-amino-N-(4-bromophenyl)-1-ethylpyrazole-3-carboxamide
CID 65359173
4-amino-1-ethyl-N-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 65358840
4-amino-1-ethyl-N-[1-(3-fluorophenyl)ethyl]pyrazole-3-carboxamide
CID 65357729
4-amino-1-ethyl-N-naphthalen-1-ylpyrazole-3-carboxamide
CID 65358599
4-amino-1-ethyl-N-(6-fluoro-2-pyridinyl)pyrazole-3-carboxamide
CID 116812579
4-amino-N-(2,6-difluoro-3-methylphenyl)-1-ethylpyrazole-3-carboxamide
CID 82816028
4-amino-1-ethyl-N-[2-(3-fluorophenyl)ethyl]pyrazole-3-carboxamide
CID 65357986
4-bromo-N-(2-bromo-5-fluorophenyl)-1-ethylpyrrole-2-carboxamide
CID 103753374

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-bromo-5-fluorophenyl)-1-ethylpyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-(2-bromo-5-fluorophenyl)-1-ethylpyrazole-3-carboxamide (CID 107624222) is 4-amino-N-(2-bromo-5-fluorophenyl)-1-ethylpyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-(2-bromo-5-fluorophenyl)-1-ethylpyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-(2-bromo-5-fluorophenyl)-1-ethylpyrazole-3-carboxamide is CCn1cc(N)c(C(=O)Nc2cc(F)ccc2Br)n1.
What is the InChIKey of 4-amino-N-(2-bromo-5-fluorophenyl)-1-ethylpyrazole-3-carboxamide?
The InChIKey is ZJFVKPFEWFJPMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrFN4O/c1-2-18-6-9(15)11(17-18)12(19)16-10-5-7(14)3-4-8(10)13/h3-6H,2,15H2,1H3,(H,16,19).
What are the key properties of 4-amino-N-(2-bromo-5-fluorophenyl)-1-ethylpyrazole-3-carboxamide?
4-amino-N-(2-bromo-5-fluorophenyl)-1-ethylpyrazole-3-carboxamide has a molecular weight of 327.16 g/mol, XLogP of 2.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-bromo-5-fluorophenyl)-1-ethylpyrazole-3-carboxamide is sourced from PubChem (CID 107624222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).