5-[1-(4-chlorophenyl)prop-1-en-2-yl]-1-(2,4-dichlorophenyl)-4-methyl-N-[(1S)-1-phenylethyl]pyrazole-3-carboxamide

C28H24Cl3N3O — CID 67158423

IUPAC5-[1-(4-chlorophenyl)prop-1-en-2-yl]-1-(2,4-dichlorophenyl)-4-methyl-N-[(1S)-1-phenylethyl]pyrazole-3-carboxamide
SMILESCC(=Cc1ccc(Cl)cc1)c1c(C)c(C(=O)N[C@@H](C)c2ccccc2)nn1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C28H24Cl3N3O/c1-17(15-20-9-11-22(29)12-10-20)27-18(2)26(28(35)32-19(3)21-7-5-4-6-8-21)33-34(27)25-14-13-23(30)16-24(25)31/h4-16,19H,1-3H3,(H,32,35)/t19-/m0/s1
InChIKeyKEXKDUKPSZAPLU-IBGZPJMESA-N
MW524.88 g/mol
LogP8.19
Rot. Bonds6

About 5-[1-(4-chlorophenyl)prop-1-en-2-yl]-1-(2,4-dichlorophenyl)-4-methyl-N-[(1S)-1-phenylethyl]pyrazole-3-carboxamide

5-[1-(4-chlorophenyl)prop-1-en-2-yl]-1-(2,4-dichlorophenyl)-4-methyl-N-[(1S)-1-phenylethyl]pyrazole-3-carboxamide (PubChem CID 67158423) has the molecular formula C28H24Cl3N3O and a molecular weight of 524.88 g/mol. Its IUPAC name is 5-[1-(4-chlorophenyl)prop-1-en-2-yl]-1-(2,4-dichlorophenyl)-4-methyl-N-[(1S)-1-phenylethyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-[1-(4-chlorophenyl)prop-1-en-2-yl]-1-(2,4-dichlorophenyl)-4-methyl-N-[(1S)-1-phenylethyl]pyrazole-3-carboxamide
PubChem CID67158423
Molecular FormulaC28H24Cl3N3O
Molecular Weight524.88 g/mol
Exact Mass523.10
IUPAC Name5-[1-(4-chlorophenyl)prop-1-en-2-yl]-1-(2,4-dichlorophenyl)-4-methyl-N-[(1S)-1-phenylethyl]pyrazole-3-carboxamide
SMILESCC(=Cc1ccc(Cl)cc1)c1c(C)c(C(=O)N[C@@H](C)c2ccccc2)nn1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C28H24Cl3N3O/c1-17(15-20-9-11-22(29)12-10-20)27-18(2)26(28(35)32-19(3)21-7-5-4-6-8-21)33-34(27)25-14-13-23(30)16-24(25)31/h4-16,19H,1-3H3,(H,32,35)/t19-/m0/s1
InChIKeyKEXKDUKPSZAPLU-IBGZPJMESA-N
XLogP8.19
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.88
LogP ≤ 58.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-[1-(4-chlorophenyl)prop-1-en-2-yl]-1-(2,4-dichlorophenyl)-4-methyl-N-[(1S)-1-phenylethyl]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

2-[[5-[(E)-1-(3-chlorophenyl)prop-1-en-2-yl]-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbonyl]amino]-2-phenylacetic acid
CID 25191596
5-[1-(4-chlorophenyl)prop-1-en-2-yl]-1-(2,4-dichlorophenyl)-4-methyl-N-morpholin-4-ylpyrazole-3-carboxamide
CID 67158956
(7E)-7-[(4-chlorophenyl)methylidene]-1-(2,4-dichlorophenyl)-N-[(1S)-1-phenylethyl]-5,6-dihydro-4H-indazole-3-carboxamide
CID 59836455
5-(5-chlorothiophen-2-yl)-1-(2,4-dichlorophenyl)-4-methyl-N-[(1S)-1-phenylethyl]pyrazole-3-carboxamide
CID 58880344
1-(2-chloro-4-methylphenyl)-5-[(E)-1-(4-chlorophenyl)prop-1-en-2-yl]-4-methylpyrazole-3-carboxylic acid;ethane
CID 143765133
1-(2,4-dichlorophenyl)-4-methyl-N-(1-phenylethyl)-5-thiophen-2-ylpyrazole-3-carboxamide
CID 16725468
5-(4-bromothiophen-2-yl)-1-(2,4-dichlorophenyl)-4-methyl-N-[(1R)-1-phenylethyl]pyrazole-3-carboxamide
CID 58880315
N-[1-(4-chlorophenyl)ethyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 18275042
N-(2-amino-2-oxo-1-phenylethyl)-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide
CID 25262560
1-(2,4-dichlorophenyl)-7-[(4-fluorophenyl)methylidene]-5-formyl-N-[(1R)-1-phenylethyl]-4,6-dihydropyrazolo[4,5-c]pyridine-3-carboxamide
CID 91338731
(7E)-1-(2,4-dichlorophenyl)-7-[(4-methoxyphenyl)methylidene]-N-(1-phenylethyl)-5,6-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide
CID 11562827
methyl (7E)-1-(2,4-dichlorophenyl)-7-[(4-methoxyphenyl)methylidene]-3-[[(1R)-1-phenylethyl]carbamoyl]-4,6-dihydropyrazolo[4,5-c]pyridine-5-carboxylate
CID 58629552

Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-chlorophenyl)prop-1-en-2-yl]-1-(2,4-dichlorophenyl)-4-methyl-N-[(1S)-1-phenylethyl]pyrazole-3-carboxamide?
The IUPAC name of 5-[1-(4-chlorophenyl)prop-1-en-2-yl]-1-(2,4-dichlorophenyl)-4-methyl-N-[(1S)-1-phenylethyl]pyrazole-3-carboxamide (CID 67158423) is 5-[1-(4-chlorophenyl)prop-1-en-2-yl]-1-(2,4-dichlorophenyl)-4-methyl-N-[(1S)-1-phenylethyl]pyrazole-3-carboxamide.
What is the SMILES notation for 5-[1-(4-chlorophenyl)prop-1-en-2-yl]-1-(2,4-dichlorophenyl)-4-methyl-N-[(1S)-1-phenylethyl]pyrazole-3-carboxamide?
The canonical SMILES for 5-[1-(4-chlorophenyl)prop-1-en-2-yl]-1-(2,4-dichlorophenyl)-4-methyl-N-[(1S)-1-phenylethyl]pyrazole-3-carboxamide is CC(=Cc1ccc(Cl)cc1)c1c(C)c(C(=O)N[C@@H](C)c2ccccc2)nn1-c1ccc(Cl)cc1Cl.
What is the InChIKey of 5-[1-(4-chlorophenyl)prop-1-en-2-yl]-1-(2,4-dichlorophenyl)-4-methyl-N-[(1S)-1-phenylethyl]pyrazole-3-carboxamide?
The InChIKey is KEXKDUKPSZAPLU-IBGZPJMESA-N. The full InChI is InChI=1S/C28H24Cl3N3O/c1-17(15-20-9-11-22(29)12-10-20)27-18(2)26(28(35)32-19(3)21-7-5-4-6-8-21)33-34(27)25-14-13-23(30)16-24(25)31/h4-16,19H,1-3H3,(H,32,35)/t19-/m0/s1.
What are the key properties of 5-[1-(4-chlorophenyl)prop-1-en-2-yl]-1-(2,4-dichlorophenyl)-4-methyl-N-[(1S)-1-phenylethyl]pyrazole-3-carboxamide?
5-[1-(4-chlorophenyl)prop-1-en-2-yl]-1-(2,4-dichlorophenyl)-4-methyl-N-[(1S)-1-phenylethyl]pyrazole-3-carboxamide has a molecular weight of 524.88 g/mol, XLogP of 8.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-chlorophenyl)prop-1-en-2-yl]-1-(2,4-dichlorophenyl)-4-methyl-N-[(1S)-1-phenylethyl]pyrazole-3-carboxamide is sourced from PubChem (CID 67158423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).