2-(4-butylphenyl)-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide

C23H27N3O — CID 17478388

IUPAC2-(4-butylphenyl)-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
SMILESCCCCc1ccc(CC(=O)NCc2ccc(Cn3cccn3)cc2)cc1
InChIInChI=1S/C23H27N3O/c1-2-3-5-19-6-8-20(9-7-19)16-23(27)24-17-21-10-12-22(13-11-21)18-26-15-4-14-25-26/h4,6-15H,2-3,5,16-18H2,1H3,(H,24,27)
InChIKeyFFYWJBBDNCDRFM-UHFFFAOYSA-N
MW361.49 g/mol
LogP4.13
Rot. Bonds9

About 2-(4-butylphenyl)-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide

2-(4-butylphenyl)-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide (PubChem CID 17478388) has the molecular formula C23H27N3O and a molecular weight of 361.49 g/mol. Its IUPAC name is 2-(4-butylphenyl)-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-butylphenyl)-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
PubChem CID17478388
Molecular FormulaC23H27N3O
Molecular Weight361.49 g/mol
Exact Mass361.22
IUPAC Name2-(4-butylphenyl)-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
SMILESCCCCc1ccc(CC(=O)NCc2ccc(Cn3cccn3)cc2)cc1
InChIInChI=1S/C23H27N3O/c1-2-3-5-19-6-8-20(9-7-19)16-23(27)24-17-21-10-12-22(13-11-21)18-26-15-4-14-25-26/h4,6-15H,2-3,5,16-18H2,1H3,(H,24,27)
InChIKeyFFYWJBBDNCDRFM-UHFFFAOYSA-N
XLogP4.13
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-butylphenyl)-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-(4-butylphenyl)-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide (CID 17478388) is 2-(4-butylphenyl)-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(4-butylphenyl)-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(4-butylphenyl)-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide is CCCCc1ccc(CC(=O)NCc2ccc(Cn3cccn3)cc2)cc1.
What is the InChIKey of 2-(4-butylphenyl)-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide?
The InChIKey is FFYWJBBDNCDRFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O/c1-2-3-5-19-6-8-20(9-7-19)16-23(27)24-17-21-10-12-22(13-11-21)18-26-15-4-14-25-26/h4,6-15H,2-3,5,16-18H2,1H3,(H,24,27).
What are the key properties of 2-(4-butylphenyl)-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide?
2-(4-butylphenyl)-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide has a molecular weight of 361.49 g/mol, XLogP of 4.13, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butylphenyl)-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 17478388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).