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

C15H18N4O2 — CID 103856024

IUPAC2-(4-acetamidophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
SMILESCC(=O)Nc1ccc(CC(=O)NC(C)c2cn[nH]c2)cc1
InChIInChI=1S/C15H18N4O2/c1-10(13-8-16-17-9-13)18-15(21)7-12-3-5-14(6-4-12)19-11(2)20/h3-6,8-10H,7H2,1-2H3,(H,16,17)(H,18,21)(H,19,20)
InChIKeyMBKVHLVKMWFABK-UHFFFAOYSA-N
MW286.34 g/mol
LogP1.79
Rot. Bonds5

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

2-(4-acetamidophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide (PubChem CID 103856024) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is 2-(4-acetamidophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-acetamidophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
PubChem CID103856024
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC Name2-(4-acetamidophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
SMILESCC(=O)Nc1ccc(CC(=O)NC(C)c2cn[nH]c2)cc1
InChIInChI=1S/C15H18N4O2/c1-10(13-8-16-17-9-13)18-15(21)7-12-3-5-14(6-4-12)19-11(2)20/h3-6,8-10H,7H2,1-2H3,(H,16,17)(H,18,21)(H,19,20)
InChIKeyMBKVHLVKMWFABK-UHFFFAOYSA-N
XLogP1.79
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-acetamidophenyl)-N-[(1R)-1-pyridin-4-ylethyl]acetamide
CID 39964120
2-(4-butylphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
CID 103856173
2-(4-acetamidophenyl)-N-[1-(4-methoxyphenyl)ethyl]acetamide
CID 108792620
2-(3-methylphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
CID 103856094
3-(4-methylphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide
CID 103856183
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
N-[1-(1H-pyrazol-4-yl)ethyl]butanamide
CID 103856506
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
2-(4-aminophenoxy)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
CID 106208034

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide?
The IUPAC name of 2-(4-acetamidophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide (CID 103856024) is 2-(4-acetamidophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide.
What is the SMILES notation for 2-(4-acetamidophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide?
The canonical SMILES for 2-(4-acetamidophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide is CC(=O)Nc1ccc(CC(=O)NC(C)c2cn[nH]c2)cc1.
What is the InChIKey of 2-(4-acetamidophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide?
The InChIKey is MBKVHLVKMWFABK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-10(13-8-16-17-9-13)18-15(21)7-12-3-5-14(6-4-12)19-11(2)20/h3-6,8-10H,7H2,1-2H3,(H,16,17)(H,18,21)(H,19,20).
What are the key properties of 2-(4-acetamidophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide?
2-(4-acetamidophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide has a molecular weight of 286.34 g/mol, XLogP of 1.79, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide is sourced from PubChem (CID 103856024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).