2-[[1-(2,4-dichlorophenyl)-5-methylpyrazol-3-yl]amino]-N-[1-[4-(2-methylpropyl)phenyl]ethyl]acetamide

C24H28Cl2N4O — CID 166342994

IUPAC2-[[1-(2,4-dichlorophenyl)-5-methylpyrazol-3-yl]amino]-N-[1-[4-(2-methylpropyl)phenyl]ethyl]acetamide
SMILESCc1cc(NCC(=O)NC(C)c2ccc(CC(C)C)cc2)nn1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C24H28Cl2N4O/c1-15(2)11-18-5-7-19(8-6-18)17(4)28-24(31)14-27-23-12-16(3)30(29-23)22-10-9-20(25)13-21(22)26/h5-10,12-13,15,17H,11,14H2,1-4H3,(H,27,29)(H,28,31)
InChIKeyVTUIAQNKUJIWPY-UHFFFAOYSA-N
MW459.42 g/mol
LogP5.98
Rot. Bonds8

About 2-[[1-(2,4-dichlorophenyl)-5-methylpyrazol-3-yl]amino]-N-[1-[4-(2-methylpropyl)phenyl]ethyl]acetamide

2-[[1-(2,4-dichlorophenyl)-5-methylpyrazol-3-yl]amino]-N-[1-[4-(2-methylpropyl)phenyl]ethyl]acetamide (PubChem CID 166342994) has the molecular formula C24H28Cl2N4O and a molecular weight of 459.42 g/mol. Its IUPAC name is 2-[[1-(2,4-dichlorophenyl)-5-methylpyrazol-3-yl]amino]-N-[1-[4-(2-methylpropyl)phenyl]ethyl]acetamide.

Molecular Properties

Compound Name2-[[1-(2,4-dichlorophenyl)-5-methylpyrazol-3-yl]amino]-N-[1-[4-(2-methylpropyl)phenyl]ethyl]acetamide
PubChem CID166342994
Molecular FormulaC24H28Cl2N4O
Molecular Weight459.42 g/mol
Exact Mass458.16
IUPAC Name2-[[1-(2,4-dichlorophenyl)-5-methylpyrazol-3-yl]amino]-N-[1-[4-(2-methylpropyl)phenyl]ethyl]acetamide
SMILESCc1cc(NCC(=O)NC(C)c2ccc(CC(C)C)cc2)nn1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C24H28Cl2N4O/c1-15(2)11-18-5-7-19(8-6-18)17(4)28-24(31)14-27-23-12-16(3)30(29-23)22-10-9-20(25)13-21(22)26/h5-10,12-13,15,17H,11,14H2,1-4H3,(H,27,29)(H,28,31)
InChIKeyVTUIAQNKUJIWPY-UHFFFAOYSA-N
XLogP5.98
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.42
LogP ≤ 55.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[1-(2,4-dichlorophenyl)-5-methylpyrazol-3-yl]amino]-N-[1-[4-(2-methylpropyl)phenyl]ethyl]acetamide with MolForge

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Related Compounds

2-(6-chloro-4-oxoquinazolin-3-yl)-N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]acetamide
CID 7587615
2-(5-chloro-2-morpholin-4-ylanilino)-N-[1-(4-chlorophenyl)ethyl]acetamide
CID 55365315
2-(4-chlorophenyl)-N-[(1R)-1-(4-chlorophenyl)ethyl]acetamide
CID 8751569
N-(2-amino-2-oxoethyl)-1-(2,4-dichlorophenyl)-5-methylpyrazole-3-carboxamide
CID 75445337
5,6-dichloro-N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]pyridine-3-carboxamide
CID 7999529
[2-[[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate
CID 7725126
2,5-dimethyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]pyrazole-3-carboxamide
CID 78905447
2-(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)-N-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]acetamide
CID 71873152
2-[(4R)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]acetamide
CID 92786542
N-[1-[4-(2-methylpropyl)phenyl]ethyl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 46692649
2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]acetamide
CID 7376830
N-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-pyrazol-1-ylpropanamide
CID 86979952

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2,4-dichlorophenyl)-5-methylpyrazol-3-yl]amino]-N-[1-[4-(2-methylpropyl)phenyl]ethyl]acetamide?
The IUPAC name of 2-[[1-(2,4-dichlorophenyl)-5-methylpyrazol-3-yl]amino]-N-[1-[4-(2-methylpropyl)phenyl]ethyl]acetamide (CID 166342994) is 2-[[1-(2,4-dichlorophenyl)-5-methylpyrazol-3-yl]amino]-N-[1-[4-(2-methylpropyl)phenyl]ethyl]acetamide.
What is the SMILES notation for 2-[[1-(2,4-dichlorophenyl)-5-methylpyrazol-3-yl]amino]-N-[1-[4-(2-methylpropyl)phenyl]ethyl]acetamide?
The canonical SMILES for 2-[[1-(2,4-dichlorophenyl)-5-methylpyrazol-3-yl]amino]-N-[1-[4-(2-methylpropyl)phenyl]ethyl]acetamide is Cc1cc(NCC(=O)NC(C)c2ccc(CC(C)C)cc2)nn1-c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[[1-(2,4-dichlorophenyl)-5-methylpyrazol-3-yl]amino]-N-[1-[4-(2-methylpropyl)phenyl]ethyl]acetamide?
The InChIKey is VTUIAQNKUJIWPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28Cl2N4O/c1-15(2)11-18-5-7-19(8-6-18)17(4)28-24(31)14-27-23-12-16(3)30(29-23)22-10-9-20(25)13-21(22)26/h5-10,12-13,15,17H,11,14H2,1-4H3,(H,27,29)(H,28,31).
What are the key properties of 2-[[1-(2,4-dichlorophenyl)-5-methylpyrazol-3-yl]amino]-N-[1-[4-(2-methylpropyl)phenyl]ethyl]acetamide?
2-[[1-(2,4-dichlorophenyl)-5-methylpyrazol-3-yl]amino]-N-[1-[4-(2-methylpropyl)phenyl]ethyl]acetamide has a molecular weight of 459.42 g/mol, XLogP of 5.98, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2,4-dichlorophenyl)-5-methylpyrazol-3-yl]amino]-N-[1-[4-(2-methylpropyl)phenyl]ethyl]acetamide is sourced from PubChem (CID 166342994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).