N-(4-acetamidophenyl)-2-(4-chloropyrazol-1-yl)acetamide

C13H13ClN4O2 — CID 19524818

IUPACN-(4-acetamidophenyl)-2-(4-chloropyrazol-1-yl)acetamide
SMILESCC(=O)Nc1ccc(NC(=O)Cn2cc(Cl)cn2)cc1
InChIInChI=1S/C13H13ClN4O2/c1-9(19)16-11-2-4-12(5-3-11)17-13(20)8-18-7-10(14)6-15-18/h2-7H,8H2,1H3,(H,16,19)(H,17,20)
InChIKeyTTXMXIMRPZWOAU-UHFFFAOYSA-N
MW292.73 g/mol
LogP2.13
Rot. Bonds4

About N-(4-acetamidophenyl)-2-(4-chloropyrazol-1-yl)acetamide

N-(4-acetamidophenyl)-2-(4-chloropyrazol-1-yl)acetamide (PubChem CID 19524818) has the molecular formula C13H13ClN4O2 and a molecular weight of 292.73 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-(4-chloropyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-(4-chloropyrazol-1-yl)acetamide
PubChem CID19524818
Molecular FormulaC13H13ClN4O2
Molecular Weight292.73 g/mol
Exact Mass292.07
IUPAC NameN-(4-acetamidophenyl)-2-(4-chloropyrazol-1-yl)acetamide
SMILESCC(=O)Nc1ccc(NC(=O)Cn2cc(Cl)cn2)cc1
InChIInChI=1S/C13H13ClN4O2/c1-9(19)16-11-2-4-12(5-3-11)17-13(20)8-18-7-10(14)6-15-18/h2-7H,8H2,1H3,(H,16,19)(H,17,20)
InChIKeyTTXMXIMRPZWOAU-UHFFFAOYSA-N
XLogP2.13
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.73
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloropyrazol-1-yl)-N-(4-cyanophenyl)acetamide
CID 50988853
N-(1-benzylpyrazol-4-yl)-2-(4-chloropyrazol-1-yl)acetamide
CID 19397538
N-(3,4-dichlorophenyl)-2-(4-methylpyrazol-1-yl)acetamide
CID 19526409
2-(4-chloropyrazol-1-yl)-N-[1-(ethoxymethyl)pyrazol-4-yl]acetamide
CID 19525078
3-[[2-(4-chloropyrazol-1-yl)acetyl]amino]-N-ethylbenzamide
CID 47077545
N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-2-(4-chloropyrazol-1-yl)acetamide
CID 19524916
1-[2-(4-acetylanilino)-2-oxoethyl]pyrazole-4-carboxylic acid
CID 19502529
2-(4-chloropyrazol-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 19393560
2-(4-aminopyrazol-1-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 43445342
N-(5-amino-2-methylphenyl)-2-(4-chloropyrazol-1-yl)acetamide
CID 54909628
2-(4-chloropyrazol-1-yl)-N-[2-(4-chloropyrazol-1-yl)ethyl]acetamide
CID 19283543
N-carbamoyl-2-(4-chloropyrazol-1-yl)acetamide
CID 130693998

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-(4-chloropyrazol-1-yl)acetamide?
The IUPAC name of N-(4-acetamidophenyl)-2-(4-chloropyrazol-1-yl)acetamide (CID 19524818) is N-(4-acetamidophenyl)-2-(4-chloropyrazol-1-yl)acetamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-(4-chloropyrazol-1-yl)acetamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-(4-chloropyrazol-1-yl)acetamide is CC(=O)Nc1ccc(NC(=O)Cn2cc(Cl)cn2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-(4-chloropyrazol-1-yl)acetamide?
The InChIKey is TTXMXIMRPZWOAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4O2/c1-9(19)16-11-2-4-12(5-3-11)17-13(20)8-18-7-10(14)6-15-18/h2-7H,8H2,1H3,(H,16,19)(H,17,20).
What are the key properties of N-(4-acetamidophenyl)-2-(4-chloropyrazol-1-yl)acetamide?
N-(4-acetamidophenyl)-2-(4-chloropyrazol-1-yl)acetamide has a molecular weight of 292.73 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-(4-chloropyrazol-1-yl)acetamide is sourced from PubChem (CID 19524818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).