2-(4-butylphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide

C17H23N3O — CID 103856173

IUPAC2-(4-butylphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
SMILESCCCCc1ccc(CC(=O)NC(C)c2cn[nH]c2)cc1
InChIInChI=1S/C17H23N3O/c1-3-4-5-14-6-8-15(9-7-14)10-17(21)20-13(2)16-11-18-19-12-16/h6-9,11-13H,3-5,10H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyPOHURWPQPMHCNL-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.17
Rot. Bonds7

About 2-(4-butylphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide

2-(4-butylphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide (PubChem CID 103856173) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-(4-butylphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-butylphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
PubChem CID103856173
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name2-(4-butylphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
SMILESCCCCc1ccc(CC(=O)NC(C)c2cn[nH]c2)cc1
InChIInChI=1S/C17H23N3O/c1-3-4-5-14-6-8-15(9-7-14)10-17(21)20-13(2)16-11-18-19-12-16/h6-9,11-13H,3-5,10H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyPOHURWPQPMHCNL-UHFFFAOYSA-N
XLogP3.17
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-acetamidophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
CID 103856024
3-(4-methylphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide
CID 103856183
N-[1-(1H-pyrazol-4-yl)ethyl]octanamide
CID 103856713
N-[1-(1H-pyrazol-4-yl)ethyl]nonanamide
CID 113339621
N-[1-(1H-pyrazol-4-yl)ethyl]butanamide
CID 103856506
2-(3-methylphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
CID 103856094
2-(3-fluoro-4-methoxyphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
CID 103856029
2-(2-fluorophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
CID 103856392
2-[2-(aminomethyl)phenyl]-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
CID 106212825
2-[(4-methylphenyl)methylsulfanyl]-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
CID 103856144
2-(2,4-difluorophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
CID 103856634
5-amino-N-[1-(1H-pyrazol-4-yl)ethyl]pentanamide
CID 106212776

Frequently Asked Questions

What is the IUPAC name of 2-(4-butylphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide?
The IUPAC name of 2-(4-butylphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide (CID 103856173) is 2-(4-butylphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide.
What is the SMILES notation for 2-(4-butylphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide?
The canonical SMILES for 2-(4-butylphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide is CCCCc1ccc(CC(=O)NC(C)c2cn[nH]c2)cc1.
What is the InChIKey of 2-(4-butylphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide?
The InChIKey is POHURWPQPMHCNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-3-4-5-14-6-8-15(9-7-14)10-17(21)20-13(2)16-11-18-19-12-16/h6-9,11-13H,3-5,10H2,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 2-(4-butylphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide?
2-(4-butylphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide has a molecular weight of 285.39 g/mol, XLogP of 3.17, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butylphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide is sourced from PubChem (CID 103856173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).