5-[4-(4-methoxyphenyl)phenyl]-2-pyridin-2-yl-1H-pyrazol-3-one

C21H17N3O2 — CID 51036276

IUPAC5-[4-(4-methoxyphenyl)phenyl]-2-pyridin-2-yl-1H-pyrazol-3-one
SMILESCOc1ccc(-c2ccc(-c3cc(=O)n(-c4ccccn4)[nH]3)cc2)cc1
InChIInChI=1S/C21H17N3O2/c1-26-18-11-9-16(10-12-18)15-5-7-17(8-6-15)19-14-21(25)24(23-19)20-4-2-3-13-22-20/h2-14,23H,1H3
InChIKeyHMTUHUYGAMWJHG-UHFFFAOYSA-N
MW343.39 g/mol
LogP3.90
Rot. Bonds4

About 5-[4-(4-methoxyphenyl)phenyl]-2-pyridin-2-yl-1H-pyrazol-3-one

5-[4-(4-methoxyphenyl)phenyl]-2-pyridin-2-yl-1H-pyrazol-3-one (PubChem CID 51036276) has the molecular formula C21H17N3O2 and a molecular weight of 343.39 g/mol. Its IUPAC name is 5-[4-(4-methoxyphenyl)phenyl]-2-pyridin-2-yl-1H-pyrazol-3-one.

Molecular Properties

Compound Name5-[4-(4-methoxyphenyl)phenyl]-2-pyridin-2-yl-1H-pyrazol-3-one
PubChem CID51036276
Molecular FormulaC21H17N3O2
Molecular Weight343.39 g/mol
Exact Mass343.13
IUPAC Name5-[4-(4-methoxyphenyl)phenyl]-2-pyridin-2-yl-1H-pyrazol-3-one
SMILESCOc1ccc(-c2ccc(-c3cc(=O)n(-c4ccccn4)[nH]3)cc2)cc1
InChIInChI=1S/C21H17N3O2/c1-26-18-11-9-16(10-12-18)15-5-7-17(8-6-15)19-14-21(25)24(23-19)20-4-2-3-13-22-20/h2-14,23H,1H3
InChIKeyHMTUHUYGAMWJHG-UHFFFAOYSA-N
XLogP3.90
TPSA59.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-methoxyphenyl)phenyl]-2-pyridin-2-yl-1H-pyrazol-3-one?
The IUPAC name of 5-[4-(4-methoxyphenyl)phenyl]-2-pyridin-2-yl-1H-pyrazol-3-one (CID 51036276) is 5-[4-(4-methoxyphenyl)phenyl]-2-pyridin-2-yl-1H-pyrazol-3-one.
What is the SMILES notation for 5-[4-(4-methoxyphenyl)phenyl]-2-pyridin-2-yl-1H-pyrazol-3-one?
The canonical SMILES for 5-[4-(4-methoxyphenyl)phenyl]-2-pyridin-2-yl-1H-pyrazol-3-one is COc1ccc(-c2ccc(-c3cc(=O)n(-c4ccccn4)[nH]3)cc2)cc1.
What is the InChIKey of 5-[4-(4-methoxyphenyl)phenyl]-2-pyridin-2-yl-1H-pyrazol-3-one?
The InChIKey is HMTUHUYGAMWJHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O2/c1-26-18-11-9-16(10-12-18)15-5-7-17(8-6-15)19-14-21(25)24(23-19)20-4-2-3-13-22-20/h2-14,23H,1H3.
What are the key properties of 5-[4-(4-methoxyphenyl)phenyl]-2-pyridin-2-yl-1H-pyrazol-3-one?
5-[4-(4-methoxyphenyl)phenyl]-2-pyridin-2-yl-1H-pyrazol-3-one has a molecular weight of 343.39 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-methoxyphenyl)phenyl]-2-pyridin-2-yl-1H-pyrazol-3-one is sourced from PubChem (CID 51036276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).