4-[6-(furan-2-yl)-2-pyridinyl]-1,5-dimethyl-2-phenylpyrazol-3-one

C20H17N3O2 — CID 139228956

IUPAC4-[6-(furan-2-yl)-2-pyridinyl]-1,5-dimethyl-2-phenylpyrazol-3-one
SMILESCc1c(-c2cccc(-c3ccco3)n2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C20H17N3O2/c1-14-19(17-11-6-10-16(21-17)18-12-7-13-25-18)20(24)23(22(14)2)15-8-4-3-5-9-15/h3-13H,1-2H3
InChIKeyWTMSUERZZUKDER-UHFFFAOYSA-N
MW331.38 g/mol
LogP3.81
Rot. Bonds3

About 4-[6-(furan-2-yl)-2-pyridinyl]-1,5-dimethyl-2-phenylpyrazol-3-one

4-[6-(furan-2-yl)-2-pyridinyl]-1,5-dimethyl-2-phenylpyrazol-3-one (PubChem CID 139228956) has the molecular formula C20H17N3O2 and a molecular weight of 331.38 g/mol. Its IUPAC name is 4-[6-(furan-2-yl)-2-pyridinyl]-1,5-dimethyl-2-phenylpyrazol-3-one.

Molecular Properties

Compound Name4-[6-(furan-2-yl)-2-pyridinyl]-1,5-dimethyl-2-phenylpyrazol-3-one
PubChem CID139228956
Molecular FormulaC20H17N3O2
Molecular Weight331.38 g/mol
Exact Mass331.13
IUPAC Name4-[6-(furan-2-yl)-2-pyridinyl]-1,5-dimethyl-2-phenylpyrazol-3-one
SMILESCc1c(-c2cccc(-c3ccco3)n2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C20H17N3O2/c1-14-19(17-11-6-10-16(21-17)18-12-7-13-25-18)20(24)23(22(14)2)15-8-4-3-5-9-15/h3-13H,1-2H3
InChIKeyWTMSUERZZUKDER-UHFFFAOYSA-N
XLogP3.81
TPSA52.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(furan-2-yl)-2-pyridinyl]-1,5-dimethyl-2-phenylpyrazol-3-one?
The IUPAC name of 4-[6-(furan-2-yl)-2-pyridinyl]-1,5-dimethyl-2-phenylpyrazol-3-one (CID 139228956) is 4-[6-(furan-2-yl)-2-pyridinyl]-1,5-dimethyl-2-phenylpyrazol-3-one.
What is the SMILES notation for 4-[6-(furan-2-yl)-2-pyridinyl]-1,5-dimethyl-2-phenylpyrazol-3-one?
The canonical SMILES for 4-[6-(furan-2-yl)-2-pyridinyl]-1,5-dimethyl-2-phenylpyrazol-3-one is Cc1c(-c2cccc(-c3ccco3)n2)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of 4-[6-(furan-2-yl)-2-pyridinyl]-1,5-dimethyl-2-phenylpyrazol-3-one?
The InChIKey is WTMSUERZZUKDER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2/c1-14-19(17-11-6-10-16(21-17)18-12-7-13-25-18)20(24)23(22(14)2)15-8-4-3-5-9-15/h3-13H,1-2H3.
What are the key properties of 4-[6-(furan-2-yl)-2-pyridinyl]-1,5-dimethyl-2-phenylpyrazol-3-one?
4-[6-(furan-2-yl)-2-pyridinyl]-1,5-dimethyl-2-phenylpyrazol-3-one has a molecular weight of 331.38 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(furan-2-yl)-2-pyridinyl]-1,5-dimethyl-2-phenylpyrazol-3-one is sourced from PubChem (CID 139228956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).