2-(4-chlorophenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide

C14H16ClN3O2 — CID 4825974

IUPAC2-(4-chlorophenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1NC(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C14H16ClN3O2/c1-9-14(10(2)18(3)17-9)16-13(19)8-20-12-6-4-11(15)5-7-12/h4-7H,8H2,1-3H3,(H,16,19)
InChIKeyGMQPHSWHFJOPGW-UHFFFAOYSA-N
MW293.75 g/mol
LogP2.71
Rot. Bonds4

About 2-(4-chlorophenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide

2-(4-chlorophenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide (PubChem CID 4825974) has the molecular formula C14H16ClN3O2 and a molecular weight of 293.75 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
PubChem CID4825974
Molecular FormulaC14H16ClN3O2
Molecular Weight293.75 g/mol
Exact Mass293.09
IUPAC Name2-(4-chlorophenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1NC(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C14H16ClN3O2/c1-9-14(10(2)18(3)17-9)16-13(19)8-20-12-6-4-11(15)5-7-12/h4-7H,8H2,1-3H3,(H,16,19)
InChIKeyGMQPHSWHFJOPGW-UHFFFAOYSA-N
XLogP2.71
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Pyrazole, 1-(2,4-dichlorophenoxyacetyl)-3,5-dimethyl-
CID 83258
2-(2-chlorophenoxy)-N-[1-(propan-2-yl)-1H-pyrazol-4-yl]acetamide
CID 5299738
2-(2,4-dichlorophenoxy)-N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]acetamide
CID 841892
ethyl (4-{[(3-chlorophenoxy)acetyl]amino}-3,5-dimethyl-1H-pyrazol-1-yl)acetate
CID 1507424
ethyl {3,5-dimethyl-4-[(phenoxyacetyl)amino]-1H-pyrazol-1-yl}acetate
CID 1506939
2-(2,4-dichlorophenoxy)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 2469908
2-(2-chloro-4-fluorophenoxy)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 2537230
N'-[2-(2,4-dichlorophenoxy)acetyl]-2-(3,5-dimethylpyrazol-1-yl)acetohydrazide
CID 4790151
2-(2-bromo-4-chlorophenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 8096034
N-(5-chloro-2-methoxyphenyl)-3-(3,5-dimethyl-1H-pyrazol-1-yl)propanamide
CID 8721994
ethyl (4-{[(4-methoxyphenoxy)acetyl]amino}-3,5-dimethyl-1H-pyrazol-1-yl)acetate
CID 1506940
2-(2,6-dimethylphenoxy)-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)acetamide
CID 6457385

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide (CID 4825974) is 2-(4-chlorophenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide is Cc1nn(C)c(C)c1NC(=O)COc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The InChIKey is GMQPHSWHFJOPGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2/c1-9-14(10(2)18(3)17-9)16-13(19)8-20-12-6-4-11(15)5-7-12/h4-7H,8H2,1-3H3,(H,16,19).
What are the key properties of 2-(4-chlorophenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
2-(4-chlorophenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide has a molecular weight of 293.75 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 4825974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).