2-(4-butylphenyl)-N-(5-methyl-1H-pyrazol-3-yl)acetamide

C16H21N3O — CID 47289707

IUPAC2-(4-butylphenyl)-N-(5-methyl-1H-pyrazol-3-yl)acetamide
SMILESCCCCc1ccc(CC(=O)Nc2cc(C)[nH]n2)cc1
InChIInChI=1S/C16H21N3O/c1-3-4-5-13-6-8-14(9-7-13)11-16(20)17-15-10-12(2)18-19-15/h6-10H,3-5,11H2,1-2H3,(H2,17,18,19,20)
InChIKeyLNBULQHYWMOEQX-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.24
Rot. Bonds6

About 2-(4-butylphenyl)-N-(5-methyl-1H-pyrazol-3-yl)acetamide

2-(4-butylphenyl)-N-(5-methyl-1H-pyrazol-3-yl)acetamide (PubChem CID 47289707) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-(4-butylphenyl)-N-(5-methyl-1H-pyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(4-butylphenyl)-N-(5-methyl-1H-pyrazol-3-yl)acetamide
PubChem CID47289707
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name2-(4-butylphenyl)-N-(5-methyl-1H-pyrazol-3-yl)acetamide
SMILESCCCCc1ccc(CC(=O)Nc2cc(C)[nH]n2)cc1
InChIInChI=1S/C16H21N3O/c1-3-4-5-13-6-8-14(9-7-13)11-16(20)17-15-10-12(2)18-19-15/h6-10H,3-5,11H2,1-2H3,(H2,17,18,19,20)
InChIKeyLNBULQHYWMOEQX-UHFFFAOYSA-N
XLogP3.24
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-butylphenyl)-N-(5-methyl-1H-pyrazol-3-yl)acetamide?
The IUPAC name of 2-(4-butylphenyl)-N-(5-methyl-1H-pyrazol-3-yl)acetamide (CID 47289707) is 2-(4-butylphenyl)-N-(5-methyl-1H-pyrazol-3-yl)acetamide.
What is the SMILES notation for 2-(4-butylphenyl)-N-(5-methyl-1H-pyrazol-3-yl)acetamide?
The canonical SMILES for 2-(4-butylphenyl)-N-(5-methyl-1H-pyrazol-3-yl)acetamide is CCCCc1ccc(CC(=O)Nc2cc(C)[nH]n2)cc1.
What is the InChIKey of 2-(4-butylphenyl)-N-(5-methyl-1H-pyrazol-3-yl)acetamide?
The InChIKey is LNBULQHYWMOEQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-3-4-5-13-6-8-14(9-7-13)11-16(20)17-15-10-12(2)18-19-15/h6-10H,3-5,11H2,1-2H3,(H2,17,18,19,20).
What are the key properties of 2-(4-butylphenyl)-N-(5-methyl-1H-pyrazol-3-yl)acetamide?
2-(4-butylphenyl)-N-(5-methyl-1H-pyrazol-3-yl)acetamide has a molecular weight of 271.36 g/mol, XLogP of 3.24, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butylphenyl)-N-(5-methyl-1H-pyrazol-3-yl)acetamide is sourced from PubChem (CID 47289707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).