2-(4-bromo-5-methylpyrazol-1-yl)-N-[2-(4-chlorophenyl)sulfanylphenyl]propanamide

C19H17BrClN3OS — CID 19535361

IUPAC2-(4-bromo-5-methylpyrazol-1-yl)-N-[2-(4-chlorophenyl)sulfanylphenyl]propanamide
SMILESCc1c(Br)cnn1C(C)C(=O)Nc1ccccc1Sc1ccc(Cl)cc1
InChIInChI=1S/C19H17BrClN3OS/c1-12-16(20)11-22-24(12)13(2)19(25)23-17-5-3-4-6-18(17)26-15-9-7-14(21)8-10-15/h3-11,13H,1-2H3,(H,23,25)
InChIKeyCMAXXWMHBDHBTI-UHFFFAOYSA-N
MW450.79 g/mol
LogP5.96
Rot. Bonds5

About 2-(4-bromo-5-methylpyrazol-1-yl)-N-[2-(4-chlorophenyl)sulfanylphenyl]propanamide

2-(4-bromo-5-methylpyrazol-1-yl)-N-[2-(4-chlorophenyl)sulfanylphenyl]propanamide (PubChem CID 19535361) has the molecular formula C19H17BrClN3OS and a molecular weight of 450.79 g/mol. Its IUPAC name is 2-(4-bromo-5-methylpyrazol-1-yl)-N-[2-(4-chlorophenyl)sulfanylphenyl]propanamide.

Molecular Properties

Compound Name2-(4-bromo-5-methylpyrazol-1-yl)-N-[2-(4-chlorophenyl)sulfanylphenyl]propanamide
PubChem CID19535361
Molecular FormulaC19H17BrClN3OS
Molecular Weight450.79 g/mol
Exact Mass449.00
IUPAC Name2-(4-bromo-5-methylpyrazol-1-yl)-N-[2-(4-chlorophenyl)sulfanylphenyl]propanamide
SMILESCc1c(Br)cnn1C(C)C(=O)Nc1ccccc1Sc1ccc(Cl)cc1
InChIInChI=1S/C19H17BrClN3OS/c1-12-16(20)11-22-24(12)13(2)19(25)23-17-5-3-4-6-18(17)26-15-9-7-14(21)8-10-15/h3-11,13H,1-2H3,(H,23,25)
InChIKeyCMAXXWMHBDHBTI-UHFFFAOYSA-N
XLogP5.96
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.79
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-chlorophenyl)sulfanylphenyl]-2-(4-methylpyrazol-1-yl)propanamide
CID 19584490
N-(2-benzoyl-4-chlorophenyl)-2-(4-bromo-5-methylpyrazol-1-yl)propanamide
CID 19535373
N-[2-(4-chlorophenyl)sulfanylphenyl]-2-(3,5-dimethyl-4-nitropyrazol-1-yl)propanamide
CID 19528443
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[2-(4-chlorophenyl)sulfanylphenyl]acetamide
CID 19525421
2-(4-methylpyrazol-1-yl)-N-(2-phenylsulfanylphenyl)propanamide
CID 19534326
N-(3-chloro-2-methylphenyl)-2-(4-chloro-5-methylpyrazol-1-yl)propanamide
CID 19533587
2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[2-(4-chlorophenyl)sulfanylphenyl]acetamide
CID 19523011
N-[2-(4-chlorophenyl)sulfanylphenyl]-2-(4-nitropyrazol-1-yl)butanamide
CID 19551552
2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)-N-[2-(4-chlorophenyl)sulfanylphenyl]acetamide
CID 19529280
2-(4-bromo-5-methylpyrazol-1-yl)-N-[1-[(2,6-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]propanamide
CID 19535541
2-(5-methyl-3-nitropyrazol-1-yl)-N-(2-phenylsulfanylphenyl)propanamide
CID 19538711
2-(4-bromo-5-methylpyrazol-1-yl)-N-(4-cyano-1-phenylpyrazol-5-yl)propanamide
CID 19535569

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-5-methylpyrazol-1-yl)-N-[2-(4-chlorophenyl)sulfanylphenyl]propanamide?
The IUPAC name of 2-(4-bromo-5-methylpyrazol-1-yl)-N-[2-(4-chlorophenyl)sulfanylphenyl]propanamide (CID 19535361) is 2-(4-bromo-5-methylpyrazol-1-yl)-N-[2-(4-chlorophenyl)sulfanylphenyl]propanamide.
What is the SMILES notation for 2-(4-bromo-5-methylpyrazol-1-yl)-N-[2-(4-chlorophenyl)sulfanylphenyl]propanamide?
The canonical SMILES for 2-(4-bromo-5-methylpyrazol-1-yl)-N-[2-(4-chlorophenyl)sulfanylphenyl]propanamide is Cc1c(Br)cnn1C(C)C(=O)Nc1ccccc1Sc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-bromo-5-methylpyrazol-1-yl)-N-[2-(4-chlorophenyl)sulfanylphenyl]propanamide?
The InChIKey is CMAXXWMHBDHBTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrClN3OS/c1-12-16(20)11-22-24(12)13(2)19(25)23-17-5-3-4-6-18(17)26-15-9-7-14(21)8-10-15/h3-11,13H,1-2H3,(H,23,25).
What are the key properties of 2-(4-bromo-5-methylpyrazol-1-yl)-N-[2-(4-chlorophenyl)sulfanylphenyl]propanamide?
2-(4-bromo-5-methylpyrazol-1-yl)-N-[2-(4-chlorophenyl)sulfanylphenyl]propanamide has a molecular weight of 450.79 g/mol, XLogP of 5.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-5-methylpyrazol-1-yl)-N-[2-(4-chlorophenyl)sulfanylphenyl]propanamide is sourced from PubChem (CID 19535361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).