4-bromo-1-ethyl-N-(2-phenylsulfanylphenyl)pyrazole-5-carboxamide

C18H16BrN3OS — CID 4518276

IUPAC4-bromo-1-ethyl-N-(2-phenylsulfanylphenyl)pyrazole-5-carboxamide
SMILESCCn1ncc(Br)c1C(=O)Nc1ccccc1Sc1ccccc1
InChIInChI=1S/C18H16BrN3OS/c1-2-22-17(14(19)12-20-22)18(23)21-15-10-6-7-11-16(15)24-13-8-4-3-5-9-13/h3-12H,2H2,1H3,(H,21,23)
InChIKeyHOIWKIGQBDNZPC-UHFFFAOYSA-N
MW402.32 g/mol
LogP5.07
Rot. Bonds5

About 4-bromo-1-ethyl-N-(2-phenylsulfanylphenyl)pyrazole-5-carboxamide

4-bromo-1-ethyl-N-(2-phenylsulfanylphenyl)pyrazole-5-carboxamide (PubChem CID 4518276) has the molecular formula C18H16BrN3OS and a molecular weight of 402.32 g/mol. Its IUPAC name is 4-bromo-1-ethyl-N-(2-phenylsulfanylphenyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-bromo-1-ethyl-N-(2-phenylsulfanylphenyl)pyrazole-5-carboxamide
PubChem CID4518276
Molecular FormulaC18H16BrN3OS
Molecular Weight402.32 g/mol
Exact Mass401.02
IUPAC Name4-bromo-1-ethyl-N-(2-phenylsulfanylphenyl)pyrazole-5-carboxamide
SMILESCCn1ncc(Br)c1C(=O)Nc1ccccc1Sc1ccccc1
InChIInChI=1S/C18H16BrN3OS/c1-2-22-17(14(19)12-20-22)18(23)21-15-10-6-7-11-16(15)24-13-8-4-3-5-9-13/h3-12H,2H2,1H3,(H,21,23)
InChIKeyHOIWKIGQBDNZPC-UHFFFAOYSA-N
XLogP5.07
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.32
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-bromo-1-ethyl-N-(2-phenylsulfanylphenyl)pyrazole-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-1,3-dimethyl-N-(2-phenylsulfanylphenyl)pyrazole-5-carboxamide
CID 19480342
4-bromo-N-(4-bromophenyl)-1-ethylpyrazole-5-carboxamide
CID 35522791
4-amino-1-ethyl-N-(2-prop-2-enylsulfanylphenyl)pyrazole-5-carboxamide
CID 65357588
N-(2-phenylsulfanylphenyl)-2-(propylamino)acetamide
CID 60648203
4-bromo-N-(4-cyanophenyl)-1-ethylpyrazole-5-carboxamide
CID 39854861
4-bromo-N-(3,4-dimethylphenyl)-1-ethylpyrazole-5-carboxamide
CID 892389
4-chloro-1,3-dimethyl-N-(2-phenylsulfanylphenyl)pyrazole-5-carboxamide
CID 19476882
1-methyl-6-oxo-N-(2-phenylsulfanylphenyl)pyridazine-3-carboxamide
CID 51316560
4-[(4-bromo-1-ethylpyrazole-5-carbonyl)amino]-1-ethylpyrazole-3-carboxamide
CID 4770344
3-(4-chloro-5-methylpyrazol-1-yl)-N-(2-phenylsulfanylphenyl)propanamide
CID 19552278
2-(4-methylpyrazol-1-yl)-N-(2-phenylsulfanylphenyl)acetamide
CID 19526400
4-bromo-1-ethyl-N-(4-methylpyrimidin-2-yl)pyrazole-5-carboxamide
CID 35522845

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-ethyl-N-(2-phenylsulfanylphenyl)pyrazole-5-carboxamide?
The IUPAC name of 4-bromo-1-ethyl-N-(2-phenylsulfanylphenyl)pyrazole-5-carboxamide (CID 4518276) is 4-bromo-1-ethyl-N-(2-phenylsulfanylphenyl)pyrazole-5-carboxamide.
What is the SMILES notation for 4-bromo-1-ethyl-N-(2-phenylsulfanylphenyl)pyrazole-5-carboxamide?
The canonical SMILES for 4-bromo-1-ethyl-N-(2-phenylsulfanylphenyl)pyrazole-5-carboxamide is CCn1ncc(Br)c1C(=O)Nc1ccccc1Sc1ccccc1.
What is the InChIKey of 4-bromo-1-ethyl-N-(2-phenylsulfanylphenyl)pyrazole-5-carboxamide?
The InChIKey is HOIWKIGQBDNZPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrN3OS/c1-2-22-17(14(19)12-20-22)18(23)21-15-10-6-7-11-16(15)24-13-8-4-3-5-9-13/h3-12H,2H2,1H3,(H,21,23).
What are the key properties of 4-bromo-1-ethyl-N-(2-phenylsulfanylphenyl)pyrazole-5-carboxamide?
4-bromo-1-ethyl-N-(2-phenylsulfanylphenyl)pyrazole-5-carboxamide has a molecular weight of 402.32 g/mol, XLogP of 5.07, 5 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-(2-phenylsulfanylphenyl)pyrazole-5-carboxamide is sourced from PubChem (CID 4518276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).