(2R)-N-[1-(4-bromophenyl)-3-phenylpyrazol-5-yl]-2-phenylbutanamide

C25H22BrN3O — CID 92773520

IUPAC(2R)-N-[1-(4-bromophenyl)-3-phenylpyrazol-5-yl]-2-phenylbutanamide
SMILESCC[C@@H](C(=O)Nc1cc(-c2ccccc2)nn1-c1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C25H22BrN3O/c1-2-22(18-9-5-3-6-10-18)25(30)27-24-17-23(19-11-7-4-8-12-19)28-29(24)21-15-13-20(26)14-16-21/h3-17,22H,2H2,1H3,(H,27,30)/t22-/m1/s1
InChIKeyPWPGJGSPOMJVID-JOCHJYFZSA-N
MW460.38 g/mol
LogP6.43
Rot. Bonds6

About (2R)-N-[1-(4-bromophenyl)-3-phenylpyrazol-5-yl]-2-phenylbutanamide

(2R)-N-[1-(4-bromophenyl)-3-phenylpyrazol-5-yl]-2-phenylbutanamide (PubChem CID 92773520) has the molecular formula C25H22BrN3O and a molecular weight of 460.38 g/mol. Its IUPAC name is (2R)-N-[1-(4-bromophenyl)-3-phenylpyrazol-5-yl]-2-phenylbutanamide.

Molecular Properties

Compound Name(2R)-N-[1-(4-bromophenyl)-3-phenylpyrazol-5-yl]-2-phenylbutanamide
PubChem CID92773520
Molecular FormulaC25H22BrN3O
Molecular Weight460.38 g/mol
Exact Mass459.09
IUPAC Name(2R)-N-[1-(4-bromophenyl)-3-phenylpyrazol-5-yl]-2-phenylbutanamide
SMILESCC[C@@H](C(=O)Nc1cc(-c2ccccc2)nn1-c1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C25H22BrN3O/c1-2-22(18-9-5-3-6-10-18)25(30)27-24-17-23(19-11-7-4-8-12-19)28-29(24)21-15-13-20(26)14-16-21/h3-17,22H,2H2,1H3,(H,27,30)/t22-/m1/s1
InChIKeyPWPGJGSPOMJVID-JOCHJYFZSA-N
XLogP6.43
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.38
LogP ≤ 56.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-N-[1-(4-bromophenyl)-3-phenylpyrazol-5-yl]-2-phenylbutanamide 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

N-[2-[[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-2-phenyl-N-propan-2-ylbutanamide
CID 3966020
N-[2-[[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-2-phenyl-N-propylbutanamide
CID 42732023
(2R)-N-[2-[[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-2-phenyl-N-propan-2-ylbutanamide
CID 92514798
(2S)-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-phenylbutanamide
CID 1291176
(2R)-N-[2-[[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)-2-phenylbutanamide
CID 92514790
2-(dimethylamino)-N-(1,3-diphenylpyrazol-5-yl)propanamide;hydron;chloride
CID 67108596
N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-phenylbutanamide
CID 55396911
N-(1,3-diphenylpyrazol-5-yl)-4-methylpentanamide
CID 46087809
N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-2-phenylbutanamide
CID 90515546
N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-pentyl-2,2-diphenylacetamide
CID 5107189
ethyl 1-(4-methylphenyl)-6-oxo-4-(2-phenylbutanoylamino)pyridazine-3-carboxylate
CID 16839487
N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-ethyl-2-methylpropanamide
CID 1062156

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[1-(4-bromophenyl)-3-phenylpyrazol-5-yl]-2-phenylbutanamide?
The IUPAC name of (2R)-N-[1-(4-bromophenyl)-3-phenylpyrazol-5-yl]-2-phenylbutanamide (CID 92773520) is (2R)-N-[1-(4-bromophenyl)-3-phenylpyrazol-5-yl]-2-phenylbutanamide.
What is the SMILES notation for (2R)-N-[1-(4-bromophenyl)-3-phenylpyrazol-5-yl]-2-phenylbutanamide?
The canonical SMILES for (2R)-N-[1-(4-bromophenyl)-3-phenylpyrazol-5-yl]-2-phenylbutanamide is CC[C@@H](C(=O)Nc1cc(-c2ccccc2)nn1-c1ccc(Br)cc1)c1ccccc1.
What is the InChIKey of (2R)-N-[1-(4-bromophenyl)-3-phenylpyrazol-5-yl]-2-phenylbutanamide?
The InChIKey is PWPGJGSPOMJVID-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H22BrN3O/c1-2-22(18-9-5-3-6-10-18)25(30)27-24-17-23(19-11-7-4-8-12-19)28-29(24)21-15-13-20(26)14-16-21/h3-17,22H,2H2,1H3,(H,27,30)/t22-/m1/s1.
What are the key properties of (2R)-N-[1-(4-bromophenyl)-3-phenylpyrazol-5-yl]-2-phenylbutanamide?
(2R)-N-[1-(4-bromophenyl)-3-phenylpyrazol-5-yl]-2-phenylbutanamide has a molecular weight of 460.38 g/mol, XLogP of 6.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[1-(4-bromophenyl)-3-phenylpyrazol-5-yl]-2-phenylbutanamide is sourced from PubChem (CID 92773520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).