3-[1-(4-bromophenyl)-3-phenylpyrazol-4-yl]-N-methylsulfonylpropanamide

C19H18BrN3O3S — CID 164611152

IUPAC3-[1-(4-bromophenyl)-3-phenylpyrazol-4-yl]-N-methylsulfonylpropanamide
SMILESCS(=O)(=O)NC(=O)CCc1cn(-c2ccc(Br)cc2)nc1-c1ccccc1
InChIInChI=1S/C19H18BrN3O3S/c1-27(25,26)22-18(24)12-7-15-13-23(17-10-8-16(20)9-11-17)21-19(15)14-5-3-2-4-6-14/h2-6,8-11,13H,7,12H2,1H3,(H,22,24)
InChIKeyHGFHPPNOZXNEMQ-UHFFFAOYSA-N
MW448.34 g/mol
LogP3.31
Rot. Bonds6

About 3-[1-(4-bromophenyl)-3-phenylpyrazol-4-yl]-N-methylsulfonylpropanamide

3-[1-(4-bromophenyl)-3-phenylpyrazol-4-yl]-N-methylsulfonylpropanamide (PubChem CID 164611152) has the molecular formula C19H18BrN3O3S and a molecular weight of 448.34 g/mol. Its IUPAC name is 3-[1-(4-bromophenyl)-3-phenylpyrazol-4-yl]-N-methylsulfonylpropanamide.

Molecular Properties

Compound Name3-[1-(4-bromophenyl)-3-phenylpyrazol-4-yl]-N-methylsulfonylpropanamide
PubChem CID164611152
Molecular FormulaC19H18BrN3O3S
Molecular Weight448.34 g/mol
Exact Mass447.03
IUPAC Name3-[1-(4-bromophenyl)-3-phenylpyrazol-4-yl]-N-methylsulfonylpropanamide
SMILESCS(=O)(=O)NC(=O)CCc1cn(-c2ccc(Br)cc2)nc1-c1ccccc1
InChIInChI=1S/C19H18BrN3O3S/c1-27(25,26)22-18(24)12-7-15-13-23(17-10-8-16(20)9-11-17)21-19(15)14-5-3-2-4-6-14/h2-6,8-11,13H,7,12H2,1H3,(H,22,24)
InChIKeyHGFHPPNOZXNEMQ-UHFFFAOYSA-N
XLogP3.31
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.34
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[1-(4-bromophenyl)-3-cyclohexylpyrazol-4-yl]-N-methylsulfonylpropanamide
CID 164622281
3-[1-(4-bromophenyl)-3-(4-chlorophenyl)pyrazol-4-yl]-N-methylpropanamide
CID 164628884
3-[1-(4-bromophenyl)-3-(4-chlorophenyl)pyrazol-4-yl]-N-cyclopropylsulfonylpropanamide
CID 164618622
N-benzyl-3-(1,3-diphenylpyrazol-4-yl)propanamide
CID 46295888
4-bromo-N-[(1,3-diphenylpyrazol-4-yl)methyl]benzenesulfonamide
CID 17374702
N-[(1,3-diphenylpyrazol-4-yl)methyl]-4-(methanesulfonamido)benzamide
CID 42116246
3-(1,3-diphenylpyrazol-4-yl)-N-(3-piperidin-1-ylpropyl)propanamide
CID 46295921
1-(azepan-1-yl)-3-(1,3-diphenylpyrazol-4-yl)propan-1-one
CID 46295896
3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 46295814
3-[1-(4-chlorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]propanoic acid
CID 91871950
3-[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]propanoic acid
CID 91871983
(1,3-diphenylpyrazol-4-yl)methyl 2-(methanesulfonamido)benzoate
CID 27270686

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-bromophenyl)-3-phenylpyrazol-4-yl]-N-methylsulfonylpropanamide?
The IUPAC name of 3-[1-(4-bromophenyl)-3-phenylpyrazol-4-yl]-N-methylsulfonylpropanamide (CID 164611152) is 3-[1-(4-bromophenyl)-3-phenylpyrazol-4-yl]-N-methylsulfonylpropanamide.
What is the SMILES notation for 3-[1-(4-bromophenyl)-3-phenylpyrazol-4-yl]-N-methylsulfonylpropanamide?
The canonical SMILES for 3-[1-(4-bromophenyl)-3-phenylpyrazol-4-yl]-N-methylsulfonylpropanamide is CS(=O)(=O)NC(=O)CCc1cn(-c2ccc(Br)cc2)nc1-c1ccccc1.
What is the InChIKey of 3-[1-(4-bromophenyl)-3-phenylpyrazol-4-yl]-N-methylsulfonylpropanamide?
The InChIKey is HGFHPPNOZXNEMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrN3O3S/c1-27(25,26)22-18(24)12-7-15-13-23(17-10-8-16(20)9-11-17)21-19(15)14-5-3-2-4-6-14/h2-6,8-11,13H,7,12H2,1H3,(H,22,24).
What are the key properties of 3-[1-(4-bromophenyl)-3-phenylpyrazol-4-yl]-N-methylsulfonylpropanamide?
3-[1-(4-bromophenyl)-3-phenylpyrazol-4-yl]-N-methylsulfonylpropanamide has a molecular weight of 448.34 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-bromophenyl)-3-phenylpyrazol-4-yl]-N-methylsulfonylpropanamide is sourced from PubChem (CID 164611152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).