N-[(1-phenylpyrazol-4-yl)methyl]-2-(4-pyridin-2-yloxyphenoxy)acetamide

C23H20N4O3 — CID 36631288

IUPACN-[(1-phenylpyrazol-4-yl)methyl]-2-(4-pyridin-2-yloxyphenoxy)acetamide
SMILESO=C(COc1ccc(Oc2ccccn2)cc1)NCc1cnn(-c2ccccc2)c1
InChIInChI=1S/C23H20N4O3/c28-22(25-14-18-15-26-27(16-18)19-6-2-1-3-7-19)17-29-20-9-11-21(12-10-20)30-23-8-4-5-13-24-23/h1-13,15-16H,14,17H2,(H,25,28)
InChIKeyAEKNYPTXDAXHJM-UHFFFAOYSA-N
MW400.44 g/mol
LogP3.75
Rot. Bonds8

About N-[(1-phenylpyrazol-4-yl)methyl]-2-(4-pyridin-2-yloxyphenoxy)acetamide

N-[(1-phenylpyrazol-4-yl)methyl]-2-(4-pyridin-2-yloxyphenoxy)acetamide (PubChem CID 36631288) has the molecular formula C23H20N4O3 and a molecular weight of 400.44 g/mol. Its IUPAC name is N-[(1-phenylpyrazol-4-yl)methyl]-2-(4-pyridin-2-yloxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[(1-phenylpyrazol-4-yl)methyl]-2-(4-pyridin-2-yloxyphenoxy)acetamide
PubChem CID36631288
Molecular FormulaC23H20N4O3
Molecular Weight400.44 g/mol
Exact Mass400.15
IUPAC NameN-[(1-phenylpyrazol-4-yl)methyl]-2-(4-pyridin-2-yloxyphenoxy)acetamide
SMILESO=C(COc1ccc(Oc2ccccn2)cc1)NCc1cnn(-c2ccccc2)c1
InChIInChI=1S/C23H20N4O3/c28-22(25-14-18-15-26-27(16-18)19-6-2-1-3-7-19)17-29-20-9-11-21(12-10-20)30-23-8-4-5-13-24-23/h1-13,15-16H,14,17H2,(H,25,28)
InChIKeyAEKNYPTXDAXHJM-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

2-(4-tert-butylphenoxy)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 134036059
N-[(3-pyrazol-1-ylphenyl)methyl]-2-(4-pyridin-2-yloxyphenoxy)acetamide
CID 86965061
2-(3-methyl-4-propan-2-ylphenoxy)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 25496915
2-(4-ethoxyphenyl)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 26078765
N-propyl-2-(4-pyridin-2-yloxyphenoxy)acetamide
CID 36805335
N'-[2-(4-fluorophenoxy)acetyl]-3-(1-phenylpyrazol-4-yl)propanehydrazide
CID 26782133
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(4-pyridin-2-yloxyphenoxy)acetamide
CID 86836191
N-[(6-methyl-2-pyridinyl)methyl]-2-(4-pyridin-2-yloxyphenoxy)acetamide
CID 87041581
N-[(5-methylthiophen-2-yl)methyl]-2-(4-pyridin-2-yloxyphenoxy)acetamide
CID 87004197
5-chloro-N-[(1-phenylpyrazol-4-yl)methyl]pentanamide
CID 43347095
2-[2-(1,3-dithiolan-2-yl)phenoxy]-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 24609824
2-phenoxy-N-[(6-pyridin-2-yl-3-pyridinyl)methyl]acetamide
CID 110714395

Frequently Asked Questions

What is the IUPAC name of N-[(1-phenylpyrazol-4-yl)methyl]-2-(4-pyridin-2-yloxyphenoxy)acetamide?
The IUPAC name of N-[(1-phenylpyrazol-4-yl)methyl]-2-(4-pyridin-2-yloxyphenoxy)acetamide (CID 36631288) is N-[(1-phenylpyrazol-4-yl)methyl]-2-(4-pyridin-2-yloxyphenoxy)acetamide.
What is the SMILES notation for N-[(1-phenylpyrazol-4-yl)methyl]-2-(4-pyridin-2-yloxyphenoxy)acetamide?
The canonical SMILES for N-[(1-phenylpyrazol-4-yl)methyl]-2-(4-pyridin-2-yloxyphenoxy)acetamide is O=C(COc1ccc(Oc2ccccn2)cc1)NCc1cnn(-c2ccccc2)c1.
What is the InChIKey of N-[(1-phenylpyrazol-4-yl)methyl]-2-(4-pyridin-2-yloxyphenoxy)acetamide?
The InChIKey is AEKNYPTXDAXHJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O3/c28-22(25-14-18-15-26-27(16-18)19-6-2-1-3-7-19)17-29-20-9-11-21(12-10-20)30-23-8-4-5-13-24-23/h1-13,15-16H,14,17H2,(H,25,28).
What are the key properties of N-[(1-phenylpyrazol-4-yl)methyl]-2-(4-pyridin-2-yloxyphenoxy)acetamide?
N-[(1-phenylpyrazol-4-yl)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-[(1-phenylpyrazol-4-yl)methyl]-2-(4-pyridin-2-yloxyphenoxy)acetamide is sourced from PubChem (CID 36631288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).