5-(2-methylpyrazol-3-yl)-2-phenylmethoxy-N-pyridin-3-ylbenzamide

C23H20N4O2 — CID 67107000

IUPAC5-(2-methylpyrazol-3-yl)-2-phenylmethoxy-N-pyridin-3-ylbenzamide
SMILESCn1nccc1-c1ccc(OCc2ccccc2)c(C(=O)Nc2cccnc2)c1
InChIInChI=1S/C23H20N4O2/c1-27-21(11-13-25-27)18-9-10-22(29-16-17-6-3-2-4-7-17)20(14-18)23(28)26-19-8-5-12-24-15-19/h2-15H,16H2,1H3,(H,26,28)
InChIKeyUOFIVTAPQWGDCO-UHFFFAOYSA-N
MW384.44 g/mol
LogP4.31
Rot. Bonds6

About 5-(2-methylpyrazol-3-yl)-2-phenylmethoxy-N-pyridin-3-ylbenzamide

5-(2-methylpyrazol-3-yl)-2-phenylmethoxy-N-pyridin-3-ylbenzamide (PubChem CID 67107000) has the molecular formula C23H20N4O2 and a molecular weight of 384.44 g/mol. Its IUPAC name is 5-(2-methylpyrazol-3-yl)-2-phenylmethoxy-N-pyridin-3-ylbenzamide.

Molecular Properties

Compound Name5-(2-methylpyrazol-3-yl)-2-phenylmethoxy-N-pyridin-3-ylbenzamide
PubChem CID67107000
Molecular FormulaC23H20N4O2
Molecular Weight384.44 g/mol
Exact Mass384.16
IUPAC Name5-(2-methylpyrazol-3-yl)-2-phenylmethoxy-N-pyridin-3-ylbenzamide
SMILESCn1nccc1-c1ccc(OCc2ccccc2)c(C(=O)Nc2cccnc2)c1
InChIInChI=1S/C23H20N4O2/c1-27-21(11-13-25-27)18-9-10-22(29-16-17-6-3-2-4-7-17)20(14-18)23(28)26-19-8-5-12-24-15-19/h2-15H,16H2,1H3,(H,26,28)
InChIKeyUOFIVTAPQWGDCO-UHFFFAOYSA-N
XLogP4.31
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpyrazol-3-yl)-2-phenylmethoxy-N-pyridin-3-ylbenzamide?
The IUPAC name of 5-(2-methylpyrazol-3-yl)-2-phenylmethoxy-N-pyridin-3-ylbenzamide (CID 67107000) is 5-(2-methylpyrazol-3-yl)-2-phenylmethoxy-N-pyridin-3-ylbenzamide.
What is the SMILES notation for 5-(2-methylpyrazol-3-yl)-2-phenylmethoxy-N-pyridin-3-ylbenzamide?
The canonical SMILES for 5-(2-methylpyrazol-3-yl)-2-phenylmethoxy-N-pyridin-3-ylbenzamide is Cn1nccc1-c1ccc(OCc2ccccc2)c(C(=O)Nc2cccnc2)c1.
What is the InChIKey of 5-(2-methylpyrazol-3-yl)-2-phenylmethoxy-N-pyridin-3-ylbenzamide?
The InChIKey is UOFIVTAPQWGDCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2/c1-27-21(11-13-25-27)18-9-10-22(29-16-17-6-3-2-4-7-17)20(14-18)23(28)26-19-8-5-12-24-15-19/h2-15H,16H2,1H3,(H,26,28).
What are the key properties of 5-(2-methylpyrazol-3-yl)-2-phenylmethoxy-N-pyridin-3-ylbenzamide?
5-(2-methylpyrazol-3-yl)-2-phenylmethoxy-N-pyridin-3-ylbenzamide has a molecular weight of 384.44 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpyrazol-3-yl)-2-phenylmethoxy-N-pyridin-3-ylbenzamide is sourced from PubChem (CID 67107000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).