4-bromo-1-ethyl-N-(4-methoxyphenyl)pyrazole-3-carboxamide

C13H14BrN3O2 — CID 973635

IUPAC4-bromo-1-ethyl-N-(4-methoxyphenyl)pyrazole-3-carboxamide
SMILESCCn1cc(Br)c(C(=O)Nc2ccc(OC)cc2)n1
InChIInChI=1S/C13H14BrN3O2/c1-3-17-8-11(14)12(16-17)13(18)15-9-4-6-10(19-2)7-5-9/h4-8H,3H2,1-2H3,(H,15,18)
InChIKeyWVBIAOMRJKMWTB-UHFFFAOYSA-N
MW324.18 g/mol
LogP2.93
Rot. Bonds4

About 4-bromo-1-ethyl-N-(4-methoxyphenyl)pyrazole-3-carboxamide

4-bromo-1-ethyl-N-(4-methoxyphenyl)pyrazole-3-carboxamide (PubChem CID 973635) has the molecular formula C13H14BrN3O2 and a molecular weight of 324.18 g/mol. Its IUPAC name is 4-bromo-1-ethyl-N-(4-methoxyphenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-bromo-1-ethyl-N-(4-methoxyphenyl)pyrazole-3-carboxamide
PubChem CID973635
Molecular FormulaC13H14BrN3O2
Molecular Weight324.18 g/mol
Exact Mass323.03
IUPAC Name4-bromo-1-ethyl-N-(4-methoxyphenyl)pyrazole-3-carboxamide
SMILESCCn1cc(Br)c(C(=O)Nc2ccc(OC)cc2)n1
InChIInChI=1S/C13H14BrN3O2/c1-3-17-8-11(14)12(16-17)13(18)15-9-4-6-10(19-2)7-5-9/h4-8H,3H2,1-2H3,(H,15,18)
InChIKeyWVBIAOMRJKMWTB-UHFFFAOYSA-N
XLogP2.93
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.18
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-bromo-1-ethyl-N-(4-methoxyphenyl)pyrazole-3-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-1-ethyl-N-[(4-methoxyphenyl)carbamothioyl]pyrazole-3-carboxamide
CID 3435911
4-bromo-1-ethyl-N-(4-sulfamoylphenyl)pyrazole-3-carboxamide
CID 35324833
4-bromo-1-ethyl-N-[4-[(1-methylpyrazole-3-carbonyl)amino]phenyl]pyrazole-3-carboxamide
CID 19267490
dimethyl 5-[(4-bromo-1-ethylpyrazole-3-carbonyl)amino]benzene-1,3-dicarboxylate
CID 19267253
4-bromo-1-ethyl-N-(4-pyrazol-1-ylphenyl)pyrazole-3-carboxamide
CID 35534221
4-bromo-1-ethyl-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrazole-3-carboxamide
CID 35535212
4-bromo-N-(4-ethoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 659584
methyl 2-[(4-bromo-1-ethylpyrazole-3-carbonyl)amino]benzoate
CID 994072
4-bromo-N-[1-(2,5-dimethoxyphenyl)ethyl]-1-ethylpyrazole-3-carboxamide
CID 19267393
4-amino-N-(4-bromophenyl)-1-ethylpyrazole-3-carboxamide
CID 65359173
4-bromo-N-(2,6-dichlorophenyl)-1-ethylpyrazole-3-carboxamide
CID 19267283
4-chloro-1-ethyl-N-(4-phenoxyphenyl)pyrazole-3-carboxamide
CID 35522479

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-ethyl-N-(4-methoxyphenyl)pyrazole-3-carboxamide?
The IUPAC name of 4-bromo-1-ethyl-N-(4-methoxyphenyl)pyrazole-3-carboxamide (CID 973635) is 4-bromo-1-ethyl-N-(4-methoxyphenyl)pyrazole-3-carboxamide.
What is the SMILES notation for 4-bromo-1-ethyl-N-(4-methoxyphenyl)pyrazole-3-carboxamide?
The canonical SMILES for 4-bromo-1-ethyl-N-(4-methoxyphenyl)pyrazole-3-carboxamide is CCn1cc(Br)c(C(=O)Nc2ccc(OC)cc2)n1.
What is the InChIKey of 4-bromo-1-ethyl-N-(4-methoxyphenyl)pyrazole-3-carboxamide?
The InChIKey is WVBIAOMRJKMWTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O2/c1-3-17-8-11(14)12(16-17)13(18)15-9-4-6-10(19-2)7-5-9/h4-8H,3H2,1-2H3,(H,15,18).
What are the key properties of 4-bromo-1-ethyl-N-(4-methoxyphenyl)pyrazole-3-carboxamide?
4-bromo-1-ethyl-N-(4-methoxyphenyl)pyrazole-3-carboxamide has a molecular weight of 324.18 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-ethyl-N-(4-methoxyphenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 973635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).