4-bromo-N-(4-cyanophenyl)-1-ethylpyrazole-5-carboxamide

C13H11BrN4O — CID 39854861

IUPAC4-bromo-N-(4-cyanophenyl)-1-ethylpyrazole-5-carboxamide
SMILESCCn1ncc(Br)c1C(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C13H11BrN4O/c1-2-18-12(11(14)8-16-18)13(19)17-10-5-3-9(7-15)4-6-10/h3-6,8H,2H2,1H3,(H,17,19)
InChIKeyVZXXZZZOQGHUED-UHFFFAOYSA-N
MW319.16 g/mol
LogP2.79
Rot. Bonds3

About 4-bromo-N-(4-cyanophenyl)-1-ethylpyrazole-5-carboxamide

4-bromo-N-(4-cyanophenyl)-1-ethylpyrazole-5-carboxamide (PubChem CID 39854861) has the molecular formula C13H11BrN4O and a molecular weight of 319.16 g/mol. Its IUPAC name is 4-bromo-N-(4-cyanophenyl)-1-ethylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(4-cyanophenyl)-1-ethylpyrazole-5-carboxamide
PubChem CID39854861
Molecular FormulaC13H11BrN4O
Molecular Weight319.16 g/mol
Exact Mass318.01
IUPAC Name4-bromo-N-(4-cyanophenyl)-1-ethylpyrazole-5-carboxamide
SMILESCCn1ncc(Br)c1C(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C13H11BrN4O/c1-2-18-12(11(14)8-16-18)13(19)17-10-5-3-9(7-15)4-6-10/h3-6,8H,2H2,1H3,(H,17,19)
InChIKeyVZXXZZZOQGHUED-UHFFFAOYSA-N
XLogP2.79
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.16
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-bromo-N-(4-cyanophenyl)-1-ethylpyrazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-N-(4-bromophenyl)-1-ethylpyrazole-5-carboxamide
CID 35522791
4-amino-N-(4-cyanophenyl)-1-ethylpyrazole-5-carboxamide
CID 65357180
4-bromo-N-(3,4-dimethylphenyl)-1-ethylpyrazole-5-carboxamide
CID 892389
4-bromo-N-(3-cyano-4,5-dimethylthiophen-2-yl)-1-ethylpyrazole-5-carboxamide
CID 19579461
4-bromo-N-[1-(cyanomethyl)pyrazol-3-yl]-1-ethylpyrazole-5-carboxamide
CID 95754828
4-bromo-N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-1-ethylpyrazole-5-carboxamide
CID 19476759
4-amino-N-[4-(cyanomethyl)phenyl]-1-ethylpyrazole-5-carboxamide
CID 65359105
4-bromo-1-ethyl-N-(3-nitrophenyl)pyrazole-5-carboxamide
CID 35522789
4-bromo-1-ethyl-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]pyrazole-5-carboxamide
CID 35529894
4-bromo-1-ethyl-N-(4-methylpyrimidin-2-yl)pyrazole-5-carboxamide
CID 35522845
4-amino-N-(4-chlorophenyl)-1-ethylpyrazole-5-carboxamide
CID 65357708
4-amino-N-(4-bromo-3-chlorophenyl)-1-ethylpyrazole-5-carboxamide
CID 107618381

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(4-cyanophenyl)-1-ethylpyrazole-5-carboxamide?
The IUPAC name of 4-bromo-N-(4-cyanophenyl)-1-ethylpyrazole-5-carboxamide (CID 39854861) is 4-bromo-N-(4-cyanophenyl)-1-ethylpyrazole-5-carboxamide.
What is the SMILES notation for 4-bromo-N-(4-cyanophenyl)-1-ethylpyrazole-5-carboxamide?
The canonical SMILES for 4-bromo-N-(4-cyanophenyl)-1-ethylpyrazole-5-carboxamide is CCn1ncc(Br)c1C(=O)Nc1ccc(C#N)cc1.
What is the InChIKey of 4-bromo-N-(4-cyanophenyl)-1-ethylpyrazole-5-carboxamide?
The InChIKey is VZXXZZZOQGHUED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN4O/c1-2-18-12(11(14)8-16-18)13(19)17-10-5-3-9(7-15)4-6-10/h3-6,8H,2H2,1H3,(H,17,19).
What are the key properties of 4-bromo-N-(4-cyanophenyl)-1-ethylpyrazole-5-carboxamide?
4-bromo-N-(4-cyanophenyl)-1-ethylpyrazole-5-carboxamide has a molecular weight of 319.16 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(4-cyanophenyl)-1-ethylpyrazole-5-carboxamide is sourced from PubChem (CID 39854861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).