4-phenoxy-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]benzamide

C23H20N4O2 — CID 90588080

IUPAC4-phenoxy-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]benzamide
SMILESO=C(NCCn1ccc(-c2ccncc2)n1)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C23H20N4O2/c28-23(19-6-8-21(9-7-19)29-20-4-2-1-3-5-20)25-15-17-27-16-12-22(26-27)18-10-13-24-14-11-18/h1-14,16H,15,17H2,(H,25,28)
InChIKeyAPEKLAGWFXHRSM-UHFFFAOYSA-N
MW384.44 g/mol
LogP4.17
Rot. Bonds7

About 4-phenoxy-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]benzamide

4-phenoxy-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]benzamide (PubChem CID 90588080) has the molecular formula C23H20N4O2 and a molecular weight of 384.44 g/mol. Its IUPAC name is 4-phenoxy-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-phenoxy-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]benzamide
PubChem CID90588080
Molecular FormulaC23H20N4O2
Molecular Weight384.44 g/mol
Exact Mass384.16
IUPAC Name4-phenoxy-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]benzamide
SMILESO=C(NCCn1ccc(-c2ccncc2)n1)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C23H20N4O2/c28-23(19-6-8-21(9-7-19)29-20-4-2-1-3-5-20)25-15-17-27-16-12-22(26-27)18-10-13-24-14-11-18/h1-14,16H,15,17H2,(H,25,28)
InChIKeyAPEKLAGWFXHRSM-UHFFFAOYSA-N
XLogP4.17
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-phenoxy-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]benzamide
CID 90588364
4-ethyl-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]benzamide
CID 90587985
4-phenyl-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]benzamide
CID 90588347
2-(4-tert-butylphenoxy)-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]acetamide
CID 90588072
1-ethyl-3-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]urea
CID 90588193
2-(4-chlorophenoxy)-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]acetamide
CID 90588042
4-phenyl-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]butanamide
CID 90588000
N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]-2-thiophen-2-ylacetamide
CID 71807811
2-(2-methoxyphenoxy)-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]acetamide
CID 71807840
N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]cyclopropanecarboxamide
CID 71807800
2-(4-propan-2-ylphenoxy)-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]acetamide
CID 90588058
4-methyl-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]benzamide
CID 90588265

Frequently Asked Questions

What is the IUPAC name of 4-phenoxy-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]benzamide?
The IUPAC name of 4-phenoxy-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]benzamide (CID 90588080) is 4-phenoxy-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]benzamide.
What is the SMILES notation for 4-phenoxy-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]benzamide?
The canonical SMILES for 4-phenoxy-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]benzamide is O=C(NCCn1ccc(-c2ccncc2)n1)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 4-phenoxy-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]benzamide?
The InChIKey is APEKLAGWFXHRSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2/c28-23(19-6-8-21(9-7-19)29-20-4-2-1-3-5-20)25-15-17-27-16-12-22(26-27)18-10-13-24-14-11-18/h1-14,16H,15,17H2,(H,25,28).
What are the key properties of 4-phenoxy-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]benzamide?
4-phenoxy-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]benzamide has a molecular weight of 384.44 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenoxy-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]benzamide is sourced from PubChem (CID 90588080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).