N-(4-chlorophenyl)-2-[5-(4-chlorophenyl)-4-ethyl-3,4-dihydropyrazol-2-yl]acetamide

C19H19Cl2N3O — CID 139656805

IUPACN-(4-chlorophenyl)-2-[5-(4-chlorophenyl)-4-ethyl-3,4-dihydropyrazol-2-yl]acetamide
SMILESCCC1CN(CC(=O)Nc2ccc(Cl)cc2)N=C1c1ccc(Cl)cc1
InChIInChI=1S/C19H19Cl2N3O/c1-2-13-11-24(23-19(13)14-3-5-15(20)6-4-14)12-18(25)22-17-9-7-16(21)8-10-17/h3-10,13H,2,11-12H2,1H3,(H,22,25)
InChIKeyIPYWXLFWLTWDHR-UHFFFAOYSA-N
MW376.29 g/mol
LogP4.68
Rot. Bonds5

About N-(4-chlorophenyl)-2-[5-(4-chlorophenyl)-4-ethyl-3,4-dihydropyrazol-2-yl]acetamide

N-(4-chlorophenyl)-2-[5-(4-chlorophenyl)-4-ethyl-3,4-dihydropyrazol-2-yl]acetamide (PubChem CID 139656805) has the molecular formula C19H19Cl2N3O and a molecular weight of 376.29 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[5-(4-chlorophenyl)-4-ethyl-3,4-dihydropyrazol-2-yl]acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[5-(4-chlorophenyl)-4-ethyl-3,4-dihydropyrazol-2-yl]acetamide
PubChem CID139656805
Molecular FormulaC19H19Cl2N3O
Molecular Weight376.29 g/mol
Exact Mass375.09
IUPAC NameN-(4-chlorophenyl)-2-[5-(4-chlorophenyl)-4-ethyl-3,4-dihydropyrazol-2-yl]acetamide
SMILESCCC1CN(CC(=O)Nc2ccc(Cl)cc2)N=C1c1ccc(Cl)cc1
InChIInChI=1S/C19H19Cl2N3O/c1-2-13-11-24(23-19(13)14-3-5-15(20)6-4-14)12-18(25)22-17-9-7-16(21)8-10-17/h3-10,13H,2,11-12H2,1H3,(H,22,25)
InChIKeyIPYWXLFWLTWDHR-UHFFFAOYSA-N
XLogP4.68
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.29
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[[2-[5-(4-chlorophenyl)-4-phenyl-3,4-dihydropyrazol-2-yl]acetyl]amino]benzoate
CID 139656451
2-[5-(4-chlorophenyl)-4-phenyl-3,4-dihydropyrazol-2-yl]-N-(4-nitrophenyl)acetamide
CID 139656354
methyl N-[5-(4-chlorophenyl)-2-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]-3,4-dihydropyrazol-4-yl]-N-prop-2-ynylcarbamate
CID 139633786
2-[5-(4-chlorophenyl)-4-phenyl-3,4-dihydropyrazol-2-yl]-N-[4-(difluoromethoxy)phenyl]acetamide
CID 139656682
2-[4-acetyl-5-(4-chlorophenyl)-4-methyl-3H-pyrazol-2-yl]-N-(4-chlorophenyl)acetamide
CID 139656336
N-(4-chlorophenyl)-2-[5-(4-fluorophenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydropyrazol-2-yl]acetamide
CID 139628128
N-(4-chlorophenyl)-2-[5-(4-chlorophenyl)-4-methyl-4-propanoyl-3H-pyrazol-2-yl]acetamide
CID 139656586
N,5-bis(4-chlorophenyl)-4-[2-(diethylamino)ethyl]-3,4-dihydropyrazole-2-carboxamide
CID 14278894
N-(4-chlorophenyl)-2-[5-(4-chlorophenyl)-4-hexyl-4-methyl-3H-pyrazol-2-yl]acetamide
CID 139656545
N-(4-chlorophenyl)-2-[3-(methylamino)pyrrolidin-1-yl]acetamide
CID 81493727
N-(4-chlorophenyl)-2-[5-(4-chlorophenyl)-4-methyl-4-(2-methylpropyl)-3H-pyrazol-2-yl]acetamide
CID 139656658
N-(4-chlorophenyl)-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide
CID 7190167

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[5-(4-chlorophenyl)-4-ethyl-3,4-dihydropyrazol-2-yl]acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[5-(4-chlorophenyl)-4-ethyl-3,4-dihydropyrazol-2-yl]acetamide (CID 139656805) is N-(4-chlorophenyl)-2-[5-(4-chlorophenyl)-4-ethyl-3,4-dihydropyrazol-2-yl]acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[5-(4-chlorophenyl)-4-ethyl-3,4-dihydropyrazol-2-yl]acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[5-(4-chlorophenyl)-4-ethyl-3,4-dihydropyrazol-2-yl]acetamide is CCC1CN(CC(=O)Nc2ccc(Cl)cc2)N=C1c1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-[5-(4-chlorophenyl)-4-ethyl-3,4-dihydropyrazol-2-yl]acetamide?
The InChIKey is IPYWXLFWLTWDHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2N3O/c1-2-13-11-24(23-19(13)14-3-5-15(20)6-4-14)12-18(25)22-17-9-7-16(21)8-10-17/h3-10,13H,2,11-12H2,1H3,(H,22,25).
What are the key properties of N-(4-chlorophenyl)-2-[5-(4-chlorophenyl)-4-ethyl-3,4-dihydropyrazol-2-yl]acetamide?
N-(4-chlorophenyl)-2-[5-(4-chlorophenyl)-4-ethyl-3,4-dihydropyrazol-2-yl]acetamide has a molecular weight of 376.29 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[5-(4-chlorophenyl)-4-ethyl-3,4-dihydropyrazol-2-yl]acetamide is sourced from PubChem (CID 139656805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).