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

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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).