2-(3-cyanophenoxy)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide

C20H18N4O3 — CID 4819220

IUPAC2-(3-cyanophenoxy)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide
SMILESCc1c(NC(=O)COc2cccc(C#N)c2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C20H18N4O3/c1-14-19(20(26)24(23(14)2)16-8-4-3-5-9-16)22-18(25)13-27-17-10-6-7-15(11-17)12-21/h3-11H,13H2,1-2H3,(H,22,25)
InChIKeyCHHRCKOJANTDPX-UHFFFAOYSA-N
MW362.39 g/mol
LogP2.37
Rot. Bonds5

About 2-(3-cyanophenoxy)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide

2-(3-cyanophenoxy)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide (PubChem CID 4819220) has the molecular formula C20H18N4O3 and a molecular weight of 362.39 g/mol. Its IUPAC name is 2-(3-cyanophenoxy)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-(3-cyanophenoxy)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide
PubChem CID4819220
Molecular FormulaC20H18N4O3
Molecular Weight362.39 g/mol
Exact Mass362.14
IUPAC Name2-(3-cyanophenoxy)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide
SMILESCc1c(NC(=O)COc2cccc(C#N)c2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C20H18N4O3/c1-14-19(20(26)24(23(14)2)16-8-4-3-5-9-16)22-18(25)13-27-17-10-6-7-15(11-17)12-21/h3-11H,13H2,1-2H3,(H,22,25)
InChIKeyCHHRCKOJANTDPX-UHFFFAOYSA-N
XLogP2.37
TPSA89.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(3,4-dimethylphenoxy)acetamide
CID 2709614
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-propanoylphenoxy)acetamide
CID 2709616
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(2-formylphenoxy)acetamide
CID 7763073
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(3-ethoxy-N-methylsulfonylanilino)acetamide
CID 30265732
[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethyl] 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate
CID 5031453
2-(1-chloro-4-pyrrolidin-1-ylnaphthalen-2-yl)oxy-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide
CID 38112805
[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethyl] 2-amino-5-hydroxybenzoate
CID 23761875
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-naphthalen-2-ylsulfonylacetamide
CID 3879904
[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethyl] 5-methylthiophene-2-carboxylate
CID 2715214
2-[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethyl]sulfanyl-N-phenylacetamide
CID 1412018
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methylsulfanylpropanamide
CID 34673124
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(2,4,6-trimethylphenyl)sulfanylacetamide
CID 7799589

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyanophenoxy)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide?
The IUPAC name of 2-(3-cyanophenoxy)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide (CID 4819220) is 2-(3-cyanophenoxy)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-(3-cyanophenoxy)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-(3-cyanophenoxy)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide is Cc1c(NC(=O)COc2cccc(C#N)c2)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of 2-(3-cyanophenoxy)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide?
The InChIKey is CHHRCKOJANTDPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3/c1-14-19(20(26)24(23(14)2)16-8-4-3-5-9-16)22-18(25)13-27-17-10-6-7-15(11-17)12-21/h3-11H,13H2,1-2H3,(H,22,25).
What are the key properties of 2-(3-cyanophenoxy)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide?
2-(3-cyanophenoxy)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide has a molecular weight of 362.39 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyanophenoxy)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide is sourced from PubChem (CID 4819220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).