2-(4-dodecylpyrazol-1-yl)-2-phenyl-N-(2,4,6-trimethoxyphenyl)acetamide

C32H45N3O4 — CID 11800485

IUPAC2-(4-dodecylpyrazol-1-yl)-2-phenyl-N-(2,4,6-trimethoxyphenyl)acetamide
SMILESCCCCCCCCCCCCc1cnn(C(C(=O)Nc2c(OC)cc(OC)cc2OC)c2ccccc2)c1
InChIInChI=1S/C32H45N3O4/c1-5-6-7-8-9-10-11-12-13-15-18-25-23-33-35(24-25)31(26-19-16-14-17-20-26)32(36)34-30-28(38-3)21-27(37-2)22-29(30)39-4/h14,16-17,19-24,31H,5-13,15,18H2,1-4H3,(H,34,36)
InChIKeyLIMAZAKIEPWZBG-UHFFFAOYSA-N
MW535.73 g/mol
LogP7.60
Rot. Bonds18

About 2-(4-dodecylpyrazol-1-yl)-2-phenyl-N-(2,4,6-trimethoxyphenyl)acetamide

2-(4-dodecylpyrazol-1-yl)-2-phenyl-N-(2,4,6-trimethoxyphenyl)acetamide (PubChem CID 11800485) has the molecular formula C32H45N3O4 and a molecular weight of 535.73 g/mol. Its IUPAC name is 2-(4-dodecylpyrazol-1-yl)-2-phenyl-N-(2,4,6-trimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(4-dodecylpyrazol-1-yl)-2-phenyl-N-(2,4,6-trimethoxyphenyl)acetamide
PubChem CID11800485
Molecular FormulaC32H45N3O4
Molecular Weight535.73 g/mol
Exact Mass535.34
IUPAC Name2-(4-dodecylpyrazol-1-yl)-2-phenyl-N-(2,4,6-trimethoxyphenyl)acetamide
SMILESCCCCCCCCCCCCc1cnn(C(C(=O)Nc2c(OC)cc(OC)cc2OC)c2ccccc2)c1
InChIInChI=1S/C32H45N3O4/c1-5-6-7-8-9-10-11-12-13-15-18-25-23-33-35(24-25)31(26-19-16-14-17-20-26)32(36)34-30-28(38-3)21-27(37-2)22-29(30)39-4/h14,16-17,19-24,31H,5-13,15,18H2,1-4H3,(H,34,36)
InChIKeyLIMAZAKIEPWZBG-UHFFFAOYSA-N
XLogP7.60
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.73
LogP ≤ 57.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-dodecylpyrazol-1-yl)-2-phenyl-N-(2,4,6-trimethoxyphenyl)acetamide?
The IUPAC name of 2-(4-dodecylpyrazol-1-yl)-2-phenyl-N-(2,4,6-trimethoxyphenyl)acetamide (CID 11800485) is 2-(4-dodecylpyrazol-1-yl)-2-phenyl-N-(2,4,6-trimethoxyphenyl)acetamide.
What is the SMILES notation for 2-(4-dodecylpyrazol-1-yl)-2-phenyl-N-(2,4,6-trimethoxyphenyl)acetamide?
The canonical SMILES for 2-(4-dodecylpyrazol-1-yl)-2-phenyl-N-(2,4,6-trimethoxyphenyl)acetamide is CCCCCCCCCCCCc1cnn(C(C(=O)Nc2c(OC)cc(OC)cc2OC)c2ccccc2)c1.
What is the InChIKey of 2-(4-dodecylpyrazol-1-yl)-2-phenyl-N-(2,4,6-trimethoxyphenyl)acetamide?
The InChIKey is LIMAZAKIEPWZBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H45N3O4/c1-5-6-7-8-9-10-11-12-13-15-18-25-23-33-35(24-25)31(26-19-16-14-17-20-26)32(36)34-30-28(38-3)21-27(37-2)22-29(30)39-4/h14,16-17,19-24,31H,5-13,15,18H2,1-4H3,(H,34,36).
What are the key properties of 2-(4-dodecylpyrazol-1-yl)-2-phenyl-N-(2,4,6-trimethoxyphenyl)acetamide?
2-(4-dodecylpyrazol-1-yl)-2-phenyl-N-(2,4,6-trimethoxyphenyl)acetamide has a molecular weight of 535.73 g/mol, XLogP of 7.60, 18 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-dodecylpyrazol-1-yl)-2-phenyl-N-(2,4,6-trimethoxyphenyl)acetamide is sourced from PubChem (CID 11800485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).