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

C12H11BrF2N4O — CID 102852362

IUPAC4-amino-N-(5-bromo-2,4-difluorophenyl)-1-ethylpyrazole-3-carboxamide
SMILESCCn1cc(N)c(C(=O)Nc2cc(Br)c(F)cc2F)n1
InChIInChI=1S/C12H11BrF2N4O/c1-2-19-5-9(16)11(18-19)12(20)17-10-3-6(13)7(14)4-8(10)15/h3-5H,2,16H2,1H3,(H,17,20)
InChIKeyDNVQADJXPPQNJE-UHFFFAOYSA-N
MW345.15 g/mol
LogP2.78
Rot. Bonds3

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

4-amino-N-(5-bromo-2,4-difluorophenyl)-1-ethylpyrazole-3-carboxamide (PubChem CID 102852362) has the molecular formula C12H11BrF2N4O and a molecular weight of 345.15 g/mol. Its IUPAC name is 4-amino-N-(5-bromo-2,4-difluorophenyl)-1-ethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(5-bromo-2,4-difluorophenyl)-1-ethylpyrazole-3-carboxamide
PubChem CID102852362
Molecular FormulaC12H11BrF2N4O
Molecular Weight345.15 g/mol
Exact Mass344.01
IUPAC Name4-amino-N-(5-bromo-2,4-difluorophenyl)-1-ethylpyrazole-3-carboxamide
SMILESCCn1cc(N)c(C(=O)Nc2cc(Br)c(F)cc2F)n1
InChIInChI=1S/C12H11BrF2N4O/c1-2-19-5-9(16)11(18-19)12(20)17-10-3-6(13)7(14)4-8(10)15/h3-5H,2,16H2,1H3,(H,17,20)
InChIKeyDNVQADJXPPQNJE-UHFFFAOYSA-N
XLogP2.78
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.15
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-(2-bromo-5-fluorophenyl)-1-ethylpyrazole-3-carboxamide
CID 107624222
4-amino-N-(2-bromo-5-methylphenyl)-1-ethylpyrazole-3-carboxamide
CID 82762231
4-amino-N-(2,3-difluorophenyl)-1-ethylpyrazole-3-carboxamide
CID 65357898
4-amino-N-(5-bromo-2-chlorophenyl)-1-ethylpyrazole-3-carboxamide
CID 65358030
4-amino-N-(4-bromophenyl)-1-ethylpyrazole-3-carboxamide
CID 65359173
4-amino-N-(2,6-difluoro-3-methylphenyl)-1-ethylpyrazole-3-carboxamide
CID 82816028
4-amino-1-ethyl-N-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 65358840
4-amino-1-ethyl-N-naphthalen-1-ylpyrazole-3-carboxamide
CID 65358599
4-amino-1-ethyl-N-pentan-3-ylpyrazole-3-carboxamide
CID 65359220
4-amino-1-ethyl-N-(6-fluoro-2-pyridinyl)pyrazole-3-carboxamide
CID 116812579
4-amino-N-(4,6-dimethyl-2-pyridinyl)-1-ethylpyrazole-3-carboxamide
CID 114931708
4-amino-1-ethyl-N-(2-hydroxyethyl)pyrazole-3-carboxamide
CID 65359089

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(5-bromo-2,4-difluorophenyl)-1-ethylpyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-(5-bromo-2,4-difluorophenyl)-1-ethylpyrazole-3-carboxamide (CID 102852362) is 4-amino-N-(5-bromo-2,4-difluorophenyl)-1-ethylpyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-(5-bromo-2,4-difluorophenyl)-1-ethylpyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-(5-bromo-2,4-difluorophenyl)-1-ethylpyrazole-3-carboxamide is CCn1cc(N)c(C(=O)Nc2cc(Br)c(F)cc2F)n1.
What is the InChIKey of 4-amino-N-(5-bromo-2,4-difluorophenyl)-1-ethylpyrazole-3-carboxamide?
The InChIKey is DNVQADJXPPQNJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrF2N4O/c1-2-19-5-9(16)11(18-19)12(20)17-10-3-6(13)7(14)4-8(10)15/h3-5H,2,16H2,1H3,(H,17,20).
What are the key properties of 4-amino-N-(5-bromo-2,4-difluorophenyl)-1-ethylpyrazole-3-carboxamide?
4-amino-N-(5-bromo-2,4-difluorophenyl)-1-ethylpyrazole-3-carboxamide has a molecular weight of 345.15 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(5-bromo-2,4-difluorophenyl)-1-ethylpyrazole-3-carboxamide is sourced from PubChem (CID 102852362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).