2-(3-chlorophenoxy)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide

C13H14ClN3O2 — CID 43397496

IUPAC2-(3-chlorophenoxy)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
SMILESCc1n[nH]c(C)c1NC(=O)COc1cccc(Cl)c1
InChIInChI=1S/C13H14ClN3O2/c1-8-13(9(2)17-16-8)15-12(18)7-19-11-5-3-4-10(14)6-11/h3-6H,7H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyZLCDCCPZDSMCOT-UHFFFAOYSA-N
MW279.73 g/mol
LogP2.70
Rot. Bonds4

About 2-(3-chlorophenoxy)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide

2-(3-chlorophenoxy)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide (PubChem CID 43397496) has the molecular formula C13H14ClN3O2 and a molecular weight of 279.73 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
PubChem CID43397496
Molecular FormulaC13H14ClN3O2
Molecular Weight279.73 g/mol
Exact Mass279.08
IUPAC Name2-(3-chlorophenoxy)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
SMILESCc1n[nH]c(C)c1NC(=O)COc1cccc(Cl)c1
InChIInChI=1S/C13H14ClN3O2/c1-8-13(9(2)17-16-8)15-12(18)7-19-11-5-3-4-10(14)6-11/h3-6H,7H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyZLCDCCPZDSMCOT-UHFFFAOYSA-N
XLogP2.70
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.73
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenoxy)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 5305539
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(4-propan-2-ylphenoxy)acetamide
CID 43397481
2-(4-aminophenoxy)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 55124971
2-(4-acetylphenoxy)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 78767751
2-(3-chlorophenoxy)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2632943
N-(4-chloro-2-methylphenyl)-2-(3-chlorophenoxy)acetamide
CID 2707661
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2-hydroxyphenoxy)acetamide
CID 43546519
5-[[2-(3-chlorophenoxy)acetyl]amino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 60870143
2-(3-chlorophenoxy)-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)acetamide
CID 104818243
3-[4-(3-chlorophenyl)piperazin-1-yl]-N-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide
CID 167807980
[2-(2,6-dichloroanilino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate
CID 16512644
2-(3-chlorophenoxy)-N-(6-fluoro-2-pyridinyl)acetamide
CID 104820485

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide?
The IUPAC name of 2-(3-chlorophenoxy)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide (CID 43397496) is 2-(3-chlorophenoxy)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide.
What is the SMILES notation for 2-(3-chlorophenoxy)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide?
The canonical SMILES for 2-(3-chlorophenoxy)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide is Cc1n[nH]c(C)c1NC(=O)COc1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenoxy)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide?
The InChIKey is ZLCDCCPZDSMCOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O2/c1-8-13(9(2)17-16-8)15-12(18)7-19-11-5-3-4-10(14)6-11/h3-6H,7H2,1-2H3,(H,15,18)(H,16,17).
What are the key properties of 2-(3-chlorophenoxy)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide?
2-(3-chlorophenoxy)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide has a molecular weight of 279.73 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide is sourced from PubChem (CID 43397496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).