N-(4-chlorophenyl)-2-[5-(4-chlorophenyl)-4-methyl-4-(2-methylpropyl)-3H-pyrazol-2-yl]acetamide

C22H25Cl2N3O — CID 139656658

IUPACN-(4-chlorophenyl)-2-[5-(4-chlorophenyl)-4-methyl-4-(2-methylpropyl)-3H-pyrazol-2-yl]acetamide
SMILESCC(C)CC1(C)CN(CC(=O)Nc2ccc(Cl)cc2)N=C1c1ccc(Cl)cc1
InChIInChI=1S/C22H25Cl2N3O/c1-15(2)12-22(3)14-27(26-21(22)16-4-6-17(23)7-5-16)13-20(28)25-19-10-8-18(24)9-11-19/h4-11,15H,12-14H2,1-3H3,(H,25,28)
InChIKeyUHCZVYZXKDMZCT-UHFFFAOYSA-N
MW418.37 g/mol
LogP5.70
Rot. Bonds6

About N-(4-chlorophenyl)-2-[5-(4-chlorophenyl)-4-methyl-4-(2-methylpropyl)-3H-pyrazol-2-yl]acetamide

N-(4-chlorophenyl)-2-[5-(4-chlorophenyl)-4-methyl-4-(2-methylpropyl)-3H-pyrazol-2-yl]acetamide (PubChem CID 139656658) has the molecular formula C22H25Cl2N3O and a molecular weight of 418.37 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[5-(4-chlorophenyl)-4-methyl-4-(2-methylpropyl)-3H-pyrazol-2-yl]acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[5-(4-chlorophenyl)-4-methyl-4-(2-methylpropyl)-3H-pyrazol-2-yl]acetamide
PubChem CID139656658
Molecular FormulaC22H25Cl2N3O
Molecular Weight418.37 g/mol
Exact Mass417.14
IUPAC NameN-(4-chlorophenyl)-2-[5-(4-chlorophenyl)-4-methyl-4-(2-methylpropyl)-3H-pyrazol-2-yl]acetamide
SMILESCC(C)CC1(C)CN(CC(=O)Nc2ccc(Cl)cc2)N=C1c1ccc(Cl)cc1
InChIInChI=1S/C22H25Cl2N3O/c1-15(2)12-22(3)14-27(26-21(22)16-4-6-17(23)7-5-16)13-20(28)25-19-10-8-18(24)9-11-19/h4-11,15H,12-14H2,1-3H3,(H,25,28)
InChIKeyUHCZVYZXKDMZCT-UHFFFAOYSA-N
XLogP5.70
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.37
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[5-(4-chlorophenyl)-4-methyl-4-(2-methylpropyl)-3H-pyrazol-2-yl]acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[5-(4-chlorophenyl)-4-methyl-4-(2-methylpropyl)-3H-pyrazol-2-yl]acetamide (CID 139656658) is N-(4-chlorophenyl)-2-[5-(4-chlorophenyl)-4-methyl-4-(2-methylpropyl)-3H-pyrazol-2-yl]acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[5-(4-chlorophenyl)-4-methyl-4-(2-methylpropyl)-3H-pyrazol-2-yl]acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[5-(4-chlorophenyl)-4-methyl-4-(2-methylpropyl)-3H-pyrazol-2-yl]acetamide is CC(C)CC1(C)CN(CC(=O)Nc2ccc(Cl)cc2)N=C1c1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-[5-(4-chlorophenyl)-4-methyl-4-(2-methylpropyl)-3H-pyrazol-2-yl]acetamide?
The InChIKey is UHCZVYZXKDMZCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25Cl2N3O/c1-15(2)12-22(3)14-27(26-21(22)16-4-6-17(23)7-5-16)13-20(28)25-19-10-8-18(24)9-11-19/h4-11,15H,12-14H2,1-3H3,(H,25,28).
What are the key properties of N-(4-chlorophenyl)-2-[5-(4-chlorophenyl)-4-methyl-4-(2-methylpropyl)-3H-pyrazol-2-yl]acetamide?
N-(4-chlorophenyl)-2-[5-(4-chlorophenyl)-4-methyl-4-(2-methylpropyl)-3H-pyrazol-2-yl]acetamide has a molecular weight of 418.37 g/mol, XLogP of 5.70, 6 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-methyl-4-(2-methylpropyl)-3H-pyrazol-2-yl]acetamide is sourced from PubChem (CID 139656658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).