2-[5-chloro-3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-(2-hydroxyethyl)acetamide

C19H17Cl2N3O2 — CID 54421262

IUPAC2-[5-chloro-3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-(2-hydroxyethyl)acetamide
SMILESO=C(Cc1c(-c2ccc(Cl)cc2)nn(-c2ccccc2)c1Cl)NCCO
InChIInChI=1S/C19H17Cl2N3O2/c20-14-8-6-13(7-9-14)18-16(12-17(26)22-10-11-25)19(21)24(23-18)15-4-2-1-3-5-15/h1-9,25H,10-12H2,(H,22,26)
InChIKeyWAYOYLGDECHXDK-UHFFFAOYSA-N
MW390.27 g/mol
LogP3.50
Rot. Bonds6

About 2-[5-chloro-3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-(2-hydroxyethyl)acetamide

2-[5-chloro-3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-(2-hydroxyethyl)acetamide (PubChem CID 54421262) has the molecular formula C19H17Cl2N3O2 and a molecular weight of 390.27 g/mol. Its IUPAC name is 2-[5-chloro-3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-(2-hydroxyethyl)acetamide.

Molecular Properties

Compound Name2-[5-chloro-3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-(2-hydroxyethyl)acetamide
PubChem CID54421262
Molecular FormulaC19H17Cl2N3O2
Molecular Weight390.27 g/mol
Exact Mass389.07
IUPAC Name2-[5-chloro-3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-(2-hydroxyethyl)acetamide
SMILESO=C(Cc1c(-c2ccc(Cl)cc2)nn(-c2ccccc2)c1Cl)NCCO
InChIInChI=1S/C19H17Cl2N3O2/c20-14-8-6-13(7-9-14)18-16(12-17(26)22-10-11-25)19(21)24(23-18)15-4-2-1-3-5-15/h1-9,25H,10-12H2,(H,22,26)
InChIKeyWAYOYLGDECHXDK-UHFFFAOYSA-N
XLogP3.50
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.27
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl 2-[5-chloro-3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]acetate
CID 54487147
2-[5-chloro-3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]ethanimidamide;hydrochloride
CID 21418346
2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(2-hydroxyethyl)acetamide
CID 78884828
3-(5-chloro-1,3-diphenylpyrazol-4-yl)propan-1-ol
CID 170887609
ethyl 2-(5-chloro-1,3-diphenylpyrazol-4-yl)acetate
CID 54099322
2-chloro-N-[2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]ethyl]acetamide
CID 167935958
N-(2-acetamidoethyl)-2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]acetamide
CID 17440547
N-[2-(2,4-dichlorophenyl)ethyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 9269421
N-[2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]ethyl]-4-(methylamino)butanamide
CID 119756780
ethyl N-[2-[[2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]acetyl]amino]ethyl]carbamate
CID 56557496
5-amino-N-[4-[[5-amino-3-(4-chlorophenyl)-1-phenylpyrazole-4-carbonyl]amino]phenyl]-3-(4-chlorophenyl)-1-phenylpyrazole-4-carboxamide
CID 139225071
3-(4-chlorophenyl)-1-phenylindazole
CID 102190683

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-(2-hydroxyethyl)acetamide?
The IUPAC name of 2-[5-chloro-3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-(2-hydroxyethyl)acetamide (CID 54421262) is 2-[5-chloro-3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-(2-hydroxyethyl)acetamide.
What is the SMILES notation for 2-[5-chloro-3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-(2-hydroxyethyl)acetamide?
The canonical SMILES for 2-[5-chloro-3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-(2-hydroxyethyl)acetamide is O=C(Cc1c(-c2ccc(Cl)cc2)nn(-c2ccccc2)c1Cl)NCCO.
What is the InChIKey of 2-[5-chloro-3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-(2-hydroxyethyl)acetamide?
The InChIKey is WAYOYLGDECHXDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2N3O2/c20-14-8-6-13(7-9-14)18-16(12-17(26)22-10-11-25)19(21)24(23-18)15-4-2-1-3-5-15/h1-9,25H,10-12H2,(H,22,26).
What are the key properties of 2-[5-chloro-3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-(2-hydroxyethyl)acetamide?
2-[5-chloro-3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-(2-hydroxyethyl)acetamide has a molecular weight of 390.27 g/mol, XLogP of 3.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-(2-hydroxyethyl)acetamide is sourced from PubChem (CID 54421262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).