N-[(3-pyrazol-1-ylphenyl)methyl]-2-(4-pyridin-2-yloxyphenoxy)acetamide

C23H20N4O3 — CID 86965061

IUPACN-[(3-pyrazol-1-ylphenyl)methyl]-2-(4-pyridin-2-yloxyphenoxy)acetamide
SMILESO=C(COc1ccc(Oc2ccccn2)cc1)NCc1cccc(-n2cccn2)c1
InChIInChI=1S/C23H20N4O3/c28-22(25-16-18-5-3-6-19(15-18)27-14-4-13-26-27)17-29-20-8-10-21(11-9-20)30-23-7-1-2-12-24-23/h1-15H,16-17H2,(H,25,28)
InChIKeyYFRYSFOGMJVNKP-UHFFFAOYSA-N
MW400.44 g/mol
LogP3.75
Rot. Bonds8

About N-[(3-pyrazol-1-ylphenyl)methyl]-2-(4-pyridin-2-yloxyphenoxy)acetamide

N-[(3-pyrazol-1-ylphenyl)methyl]-2-(4-pyridin-2-yloxyphenoxy)acetamide (PubChem CID 86965061) has the molecular formula C23H20N4O3 and a molecular weight of 400.44 g/mol. Its IUPAC name is N-[(3-pyrazol-1-ylphenyl)methyl]-2-(4-pyridin-2-yloxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[(3-pyrazol-1-ylphenyl)methyl]-2-(4-pyridin-2-yloxyphenoxy)acetamide
PubChem CID86965061
Molecular FormulaC23H20N4O3
Molecular Weight400.44 g/mol
Exact Mass400.15
IUPAC NameN-[(3-pyrazol-1-ylphenyl)methyl]-2-(4-pyridin-2-yloxyphenoxy)acetamide
SMILESO=C(COc1ccc(Oc2ccccn2)cc1)NCc1cccc(-n2cccn2)c1
InChIInChI=1S/C23H20N4O3/c28-22(25-16-18-5-3-6-19(15-18)27-14-4-13-26-27)17-29-20-8-10-21(11-9-20)30-23-7-1-2-12-24-23/h1-15H,16-17H2,(H,25,28)
InChIKeyYFRYSFOGMJVNKP-UHFFFAOYSA-N
XLogP3.75
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1-phenylpyrazol-4-yl)methyl]-2-(4-pyridin-2-yloxyphenoxy)acetamide
CID 36631288
2-(4-propan-2-ylphenoxy)-N-[(3-pyridin-2-yloxyphenyl)methyl]acetamide
CID 90596103
2-methoxy-N-[(3-pyridin-2-yloxyphenyl)methyl]acetamide
CID 90596122
N-[(6-methyl-2-pyridinyl)methyl]-2-(4-pyridin-2-yloxyphenoxy)acetamide
CID 87041581
N-propyl-2-(4-pyridin-2-yloxyphenoxy)acetamide
CID 36805335
N-[(5-methylthiophen-2-yl)methyl]-2-(4-pyridin-2-yloxyphenoxy)acetamide
CID 87004197
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(4-pyridin-2-yloxyphenoxy)acetamide
CID 86836191
1-(2-naphthalen-1-yloxyethyl)-3-[(3-pyrazol-1-ylphenyl)methyl]urea
CID 86966925
3-(1,3-dioxoisoindol-2-yl)-N-[(3-pyridin-2-yloxyphenyl)methyl]propanamide
CID 90596248
3-phenylsulfanyl-N-[(3-pyridin-2-yloxyphenyl)methyl]propanamide
CID 90596092
2-(4-propoxyphenoxy)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
CID 60552181
6-oxo-N-[(3-pyrazol-1-ylphenyl)methyl]-2-pyridin-2-yl-1H-pyrimidine-5-carboxamide
CID 70770534

Frequently Asked Questions

What is the IUPAC name of N-[(3-pyrazol-1-ylphenyl)methyl]-2-(4-pyridin-2-yloxyphenoxy)acetamide?
The IUPAC name of N-[(3-pyrazol-1-ylphenyl)methyl]-2-(4-pyridin-2-yloxyphenoxy)acetamide (CID 86965061) is N-[(3-pyrazol-1-ylphenyl)methyl]-2-(4-pyridin-2-yloxyphenoxy)acetamide.
What is the SMILES notation for N-[(3-pyrazol-1-ylphenyl)methyl]-2-(4-pyridin-2-yloxyphenoxy)acetamide?
The canonical SMILES for N-[(3-pyrazol-1-ylphenyl)methyl]-2-(4-pyridin-2-yloxyphenoxy)acetamide is O=C(COc1ccc(Oc2ccccn2)cc1)NCc1cccc(-n2cccn2)c1.
What is the InChIKey of N-[(3-pyrazol-1-ylphenyl)methyl]-2-(4-pyridin-2-yloxyphenoxy)acetamide?
The InChIKey is YFRYSFOGMJVNKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O3/c28-22(25-16-18-5-3-6-19(15-18)27-14-4-13-26-27)17-29-20-8-10-21(11-9-20)30-23-7-1-2-12-24-23/h1-15H,16-17H2,(H,25,28).
What are the key properties of N-[(3-pyrazol-1-ylphenyl)methyl]-2-(4-pyridin-2-yloxyphenoxy)acetamide?
N-[(3-pyrazol-1-ylphenyl)methyl]-2-(4-pyridin-2-yloxyphenoxy)acetamide has a molecular weight of 400.44 g/mol, XLogP of 3.75, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-pyrazol-1-ylphenyl)methyl]-2-(4-pyridin-2-yloxyphenoxy)acetamide is sourced from PubChem (CID 86965061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).