4-amino-N-(4-bromophenyl)-1-ethylpyrazole-3-carboxamide

C12H13BrN4O — CID 65359173

IUPAC4-amino-N-(4-bromophenyl)-1-ethylpyrazole-3-carboxamide
SMILESCCn1cc(N)c(C(=O)Nc2ccc(Br)cc2)n1
InChIInChI=1S/C12H13BrN4O/c1-2-17-7-10(14)11(16-17)12(18)15-9-5-3-8(13)4-6-9/h3-7H,2,14H2,1H3,(H,15,18)
InChIKeyIUVSWAPXTIJSNZ-UHFFFAOYSA-N
MW309.17 g/mol
LogP2.50
Rot. Bonds3

About 4-amino-N-(4-bromophenyl)-1-ethylpyrazole-3-carboxamide

4-amino-N-(4-bromophenyl)-1-ethylpyrazole-3-carboxamide (PubChem CID 65359173) has the molecular formula C12H13BrN4O and a molecular weight of 309.17 g/mol. Its IUPAC name is 4-amino-N-(4-bromophenyl)-1-ethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(4-bromophenyl)-1-ethylpyrazole-3-carboxamide
PubChem CID65359173
Molecular FormulaC12H13BrN4O
Molecular Weight309.17 g/mol
Exact Mass308.03
IUPAC Name4-amino-N-(4-bromophenyl)-1-ethylpyrazole-3-carboxamide
SMILESCCn1cc(N)c(C(=O)Nc2ccc(Br)cc2)n1
InChIInChI=1S/C12H13BrN4O/c1-2-17-7-10(14)11(16-17)12(18)15-9-5-3-8(13)4-6-9/h3-7H,2,14H2,1H3,(H,15,18)
InChIKeyIUVSWAPXTIJSNZ-UHFFFAOYSA-N
XLogP2.50
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.17
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-1-ethyl-N-(1-ethyl-6-oxo-3-pyridinyl)pyrazole-3-carboxamide
CID 65358234
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CID 65358030
4-amino-1-ethyl-N-(1,2-oxazol-4-yl)pyrazole-3-carboxamide
CID 65358029
4-amino-N-(2-bromo-5-methylphenyl)-1-ethylpyrazole-3-carboxamide
CID 82762231
4-bromo-1-ethyl-N-(4-sulfamoylphenyl)pyrazole-3-carboxamide
CID 35324833
4-amino-N-(2-bromo-5-fluorophenyl)-1-ethylpyrazole-3-carboxamide
CID 107624222
4-amino-N-(2,6-dichlorophenyl)-1-ethylpyrazole-3-carboxamide
CID 65469816
4-bromo-1-ethyl-N-(4-methoxyphenyl)pyrazole-3-carboxamide
CID 973635
4-amino-N-(5-bromo-2,4-difluorophenyl)-1-ethylpyrazole-3-carboxamide
CID 102852362
4-amino-1-ethyl-N-naphthalen-1-ylpyrazole-3-carboxamide
CID 65358599
4-amino-1-ethyl-N-(2-hydroxyethyl)pyrazole-3-carboxamide
CID 65359089
4-amino-1-ethyl-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)pyrazole-3-carboxamide
CID 19620454

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-bromophenyl)-1-ethylpyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-(4-bromophenyl)-1-ethylpyrazole-3-carboxamide (CID 65359173) is 4-amino-N-(4-bromophenyl)-1-ethylpyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-(4-bromophenyl)-1-ethylpyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-(4-bromophenyl)-1-ethylpyrazole-3-carboxamide is CCn1cc(N)c(C(=O)Nc2ccc(Br)cc2)n1.
What is the InChIKey of 4-amino-N-(4-bromophenyl)-1-ethylpyrazole-3-carboxamide?
The InChIKey is IUVSWAPXTIJSNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN4O/c1-2-17-7-10(14)11(16-17)12(18)15-9-5-3-8(13)4-6-9/h3-7H,2,14H2,1H3,(H,15,18).
What are the key properties of 4-amino-N-(4-bromophenyl)-1-ethylpyrazole-3-carboxamide?
4-amino-N-(4-bromophenyl)-1-ethylpyrazole-3-carboxamide has a molecular weight of 309.17 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-bromophenyl)-1-ethylpyrazole-3-carboxamide is sourced from PubChem (CID 65359173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).