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

C24H27Cl2N3O — CID 69148477

IUPACN-[2,3-bis(4-chlorophenyl)butyl]-3-(3,5-dimethylpyrazol-1-yl)propanamide
SMILESCc1cc(C)n(CCC(=O)NCC(c2ccc(Cl)cc2)C(C)c2ccc(Cl)cc2)n1
InChIInChI=1S/C24H27Cl2N3O/c1-16-14-17(2)29(28-16)13-12-24(30)27-15-23(20-6-10-22(26)11-7-20)18(3)19-4-8-21(25)9-5-19/h4-11,14,18,23H,12-13,15H2,1-3H3,(H,27,30)
InChIKeyWALPDQVNCIRCRG-UHFFFAOYSA-N
MW444.41 g/mol
LogP5.90
Rot. Bonds8

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

N-[2,3-bis(4-chlorophenyl)butyl]-3-(3,5-dimethylpyrazol-1-yl)propanamide (PubChem CID 69148477) has the molecular formula C24H27Cl2N3O and a molecular weight of 444.41 g/mol. Its IUPAC name is N-[2,3-bis(4-chlorophenyl)butyl]-3-(3,5-dimethylpyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[2,3-bis(4-chlorophenyl)butyl]-3-(3,5-dimethylpyrazol-1-yl)propanamide
PubChem CID69148477
Molecular FormulaC24H27Cl2N3O
Molecular Weight444.41 g/mol
Exact Mass443.15
IUPAC NameN-[2,3-bis(4-chlorophenyl)butyl]-3-(3,5-dimethylpyrazol-1-yl)propanamide
SMILESCc1cc(C)n(CCC(=O)NCC(c2ccc(Cl)cc2)C(C)c2ccc(Cl)cc2)n1
InChIInChI=1S/C24H27Cl2N3O/c1-16-14-17(2)29(28-16)13-12-24(30)27-15-23(20-6-10-22(26)11-7-20)18(3)19-4-8-21(25)9-5-19/h4-11,14,18,23H,12-13,15H2,1-3H3,(H,27,30)
InChIKeyWALPDQVNCIRCRG-UHFFFAOYSA-N
XLogP5.90
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.41
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2,3-bis(4-chlorophenyl)butyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 69148173
3-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxypropyl)propanamide
CID 43418241
N-[2,3-bis(4-chlorophenyl)butyl]-2-(5-methylpyrazol-1-yl)acetamide
CID 69145430
1-(4-chlorophenyl)-3-[2-(3,5-dimethylpyrazol-1-yl)ethyl]urea
CID 35766516
methyl 2-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]propanoate
CID 60727791
N-(4-chloro-2-pyrrol-1-ylphenyl)-3-(3,5-dimethylpyrazol-1-yl)propanamide
CID 56582587
N-(2,6-dimethylphenyl)-3-(3,5-dimethylpyrazol-1-yl)propanamide
CID 19553862
N-(4-amino-2,6-dichlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)propanamide
CID 28540908
2-(4-chlorophenoxy)ethyl 3-(3,5-dimethylpyrazol-1-yl)propanoate
CID 55562039
3-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxy-1-phenylethyl)propanamide
CID 63184682
2-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]-3-hydroxypropanoic acid
CID 43357762
N-[(2S)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(5-methylpyrazol-1-yl)propanamide
CID 125169295

Frequently Asked Questions

What is the IUPAC name of N-[2,3-bis(4-chlorophenyl)butyl]-3-(3,5-dimethylpyrazol-1-yl)propanamide?
The IUPAC name of N-[2,3-bis(4-chlorophenyl)butyl]-3-(3,5-dimethylpyrazol-1-yl)propanamide (CID 69148477) is N-[2,3-bis(4-chlorophenyl)butyl]-3-(3,5-dimethylpyrazol-1-yl)propanamide.
What is the SMILES notation for N-[2,3-bis(4-chlorophenyl)butyl]-3-(3,5-dimethylpyrazol-1-yl)propanamide?
The canonical SMILES for N-[2,3-bis(4-chlorophenyl)butyl]-3-(3,5-dimethylpyrazol-1-yl)propanamide is Cc1cc(C)n(CCC(=O)NCC(c2ccc(Cl)cc2)C(C)c2ccc(Cl)cc2)n1.
What is the InChIKey of N-[2,3-bis(4-chlorophenyl)butyl]-3-(3,5-dimethylpyrazol-1-yl)propanamide?
The InChIKey is WALPDQVNCIRCRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27Cl2N3O/c1-16-14-17(2)29(28-16)13-12-24(30)27-15-23(20-6-10-22(26)11-7-20)18(3)19-4-8-21(25)9-5-19/h4-11,14,18,23H,12-13,15H2,1-3H3,(H,27,30).
What are the key properties of N-[2,3-bis(4-chlorophenyl)butyl]-3-(3,5-dimethylpyrazol-1-yl)propanamide?
N-[2,3-bis(4-chlorophenyl)butyl]-3-(3,5-dimethylpyrazol-1-yl)propanamide has a molecular weight of 444.41 g/mol, XLogP of 5.90, 8 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]-3-(3,5-dimethylpyrazol-1-yl)propanamide is sourced from PubChem (CID 69148477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).