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

C20H18N4O2 — CID 4882122

IUPAC2-(4-cyanophenoxy)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
SMILESCc1nn(-c2ccccc2)c(C)c1NC(=O)COc1ccc(C#N)cc1
InChIInChI=1S/C20H18N4O2/c1-14-20(15(2)24(23-14)17-6-4-3-5-7-17)22-19(25)13-26-18-10-8-16(12-21)9-11-18/h3-11H,13H2,1-2H3,(H,22,25)
InChIKeyDNRUBFPKHACRRQ-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.38
Rot. Bonds5

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

2-(4-cyanophenoxy)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide (PubChem CID 4882122) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is 2-(4-cyanophenoxy)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-(4-cyanophenoxy)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
PubChem CID4882122
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC Name2-(4-cyanophenoxy)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
SMILESCc1nn(-c2ccccc2)c(C)c1NC(=O)COc1ccc(C#N)cc1
InChIInChI=1S/C20H18N4O2/c1-14-20(15(2)24(23-14)17-6-4-3-5-7-17)22-19(25)13-26-18-10-8-16(12-21)9-11-18/h3-11H,13H2,1-2H3,(H,22,25)
InChIKeyDNRUBFPKHACRRQ-UHFFFAOYSA-N
XLogP3.38
TPSA79.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenoxy)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide?
The IUPAC name of 2-(4-cyanophenoxy)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide (CID 4882122) is 2-(4-cyanophenoxy)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-(4-cyanophenoxy)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-(4-cyanophenoxy)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide is Cc1nn(-c2ccccc2)c(C)c1NC(=O)COc1ccc(C#N)cc1.
What is the InChIKey of 2-(4-cyanophenoxy)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide?
The InChIKey is DNRUBFPKHACRRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c1-14-20(15(2)24(23-14)17-6-4-3-5-7-17)22-19(25)13-26-18-10-8-16(12-21)9-11-18/h3-11H,13H2,1-2H3,(H,22,25).
What are the key properties of 2-(4-cyanophenoxy)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide?
2-(4-cyanophenoxy)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide has a molecular weight of 346.39 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenoxy)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide is sourced from PubChem (CID 4882122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).