(4-benzoyl-1-phenylpyrazol-3-yl) benzoate

C23H16N2O3 — CID 1362789

IUPAC(4-benzoyl-1-phenylpyrazol-3-yl) benzoate
SMILESO=C(Oc1nn(-c2ccccc2)cc1C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C23H16N2O3/c26-21(17-10-4-1-5-11-17)20-16-25(19-14-8-3-9-15-19)24-22(20)28-23(27)18-12-6-2-7-13-18/h1-16H
InChIKeyNMUCGABOOZOEAT-UHFFFAOYSA-N
MW368.39 g/mol
LogP4.32
Rot. Bonds5

About (4-benzoyl-1-phenylpyrazol-3-yl) benzoate

(4-benzoyl-1-phenylpyrazol-3-yl) benzoate (PubChem CID 1362789) has the molecular formula C23H16N2O3 and a molecular weight of 368.39 g/mol. Its IUPAC name is (4-benzoyl-1-phenylpyrazol-3-yl) benzoate.

Molecular Properties

Compound Name(4-benzoyl-1-phenylpyrazol-3-yl) benzoate
PubChem CID1362789
Molecular FormulaC23H16N2O3
Molecular Weight368.39 g/mol
Exact Mass368.12
IUPAC Name(4-benzoyl-1-phenylpyrazol-3-yl) benzoate
SMILESO=C(Oc1nn(-c2ccccc2)cc1C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C23H16N2O3/c26-21(17-10-4-1-5-11-17)20-16-25(19-14-8-3-9-15-19)24-22(20)28-23(27)18-12-6-2-7-13-18/h1-16H
InChIKeyNMUCGABOOZOEAT-UHFFFAOYSA-N
XLogP4.32
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-benzoyl-1-phenylpyrazol-3-yl) benzoate?
The IUPAC name of (4-benzoyl-1-phenylpyrazol-3-yl) benzoate (CID 1362789) is (4-benzoyl-1-phenylpyrazol-3-yl) benzoate.
What is the SMILES notation for (4-benzoyl-1-phenylpyrazol-3-yl) benzoate?
The canonical SMILES for (4-benzoyl-1-phenylpyrazol-3-yl) benzoate is O=C(Oc1nn(-c2ccccc2)cc1C(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of (4-benzoyl-1-phenylpyrazol-3-yl) benzoate?
The InChIKey is NMUCGABOOZOEAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N2O3/c26-21(17-10-4-1-5-11-17)20-16-25(19-14-8-3-9-15-19)24-22(20)28-23(27)18-12-6-2-7-13-18/h1-16H.
What are the key properties of (4-benzoyl-1-phenylpyrazol-3-yl) benzoate?
(4-benzoyl-1-phenylpyrazol-3-yl) benzoate has a molecular weight of 368.39 g/mol, XLogP of 4.32, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzoyl-1-phenylpyrazol-3-yl) benzoate is sourced from PubChem (CID 1362789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).