N-[2,3-bis(4-chlorophenyl)butyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide

C23H25Cl2N3O — CID 69148173

IUPACN-[2,3-bis(4-chlorophenyl)butyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide
SMILESCc1cc(C)n(CC(=O)NCC(c2ccc(Cl)cc2)C(C)c2ccc(Cl)cc2)n1
InChIInChI=1S/C23H25Cl2N3O/c1-15-12-16(2)28(27-15)14-23(29)26-13-22(19-6-10-21(25)11-7-19)17(3)18-4-8-20(24)9-5-18/h4-12,17,22H,13-14H2,1-3H3,(H,26,29)
InChIKeySACAFBOVJIINBD-UHFFFAOYSA-N
MW430.38 g/mol
LogP5.51
Rot. Bonds7

About N-[2,3-bis(4-chlorophenyl)butyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide

N-[2,3-bis(4-chlorophenyl)butyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide (PubChem CID 69148173) has the molecular formula C23H25Cl2N3O and a molecular weight of 430.38 g/mol. Its IUPAC name is N-[2,3-bis(4-chlorophenyl)butyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[2,3-bis(4-chlorophenyl)butyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide
PubChem CID69148173
Molecular FormulaC23H25Cl2N3O
Molecular Weight430.38 g/mol
Exact Mass429.14
IUPAC NameN-[2,3-bis(4-chlorophenyl)butyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide
SMILESCc1cc(C)n(CC(=O)NCC(c2ccc(Cl)cc2)C(C)c2ccc(Cl)cc2)n1
InChIInChI=1S/C23H25Cl2N3O/c1-15-12-16(2)28(27-15)14-23(29)26-13-22(19-6-10-21(25)11-7-19)17(3)18-4-8-20(24)9-5-18/h4-12,17,22H,13-14H2,1-3H3,(H,26,29)
InChIKeySACAFBOVJIINBD-UHFFFAOYSA-N
XLogP5.51
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.38
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2,3-bis(4-chlorophenyl)butyl]-3-(3,5-dimethylpyrazol-1-yl)propanamide
CID 69148477
N-[2,3-bis(4-chlorophenyl)butyl]-2-(5-methylpyrazol-1-yl)acetamide
CID 69145430
2-(3,5-dimethylpyrazol-1-yl)-N-(3-hydroxy-2-methylpropyl)acetamide
CID 65037208
N-(2-aminopropyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 63733136
2-(3,5-dimethylpyrazol-1-yl)-N-[(2R)-2-(ethylamino)propyl]acetamide
CID 120654961
N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 110278380
N-[2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylethyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 55658900
3-(4-chlorophenyl)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]propanehydrazide
CID 34390205
2-(3,5-dimethylpyrazol-1-yl)-N-propan-2-ylacetamide
CID 19525814
2-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxyethyl)acetamide
CID 573590
1-(4-chlorophenyl)-3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]thiourea
CID 8786332
N-[1-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 19525717

Frequently Asked Questions

What is the IUPAC name of N-[2,3-bis(4-chlorophenyl)butyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide?
The IUPAC name of N-[2,3-bis(4-chlorophenyl)butyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide (CID 69148173) is N-[2,3-bis(4-chlorophenyl)butyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide.
What is the SMILES notation for N-[2,3-bis(4-chlorophenyl)butyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide?
The canonical SMILES for N-[2,3-bis(4-chlorophenyl)butyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide is Cc1cc(C)n(CC(=O)NCC(c2ccc(Cl)cc2)C(C)c2ccc(Cl)cc2)n1.
What is the InChIKey of N-[2,3-bis(4-chlorophenyl)butyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide?
The InChIKey is SACAFBOVJIINBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25Cl2N3O/c1-15-12-16(2)28(27-15)14-23(29)26-13-22(19-6-10-21(25)11-7-19)17(3)18-4-8-20(24)9-5-18/h4-12,17,22H,13-14H2,1-3H3,(H,26,29).
What are the key properties of N-[2,3-bis(4-chlorophenyl)butyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide?
N-[2,3-bis(4-chlorophenyl)butyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide has a molecular weight of 430.38 g/mol, XLogP of 5.51, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,3-bis(4-chlorophenyl)butyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide is sourced from PubChem (CID 69148173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).