5-(1-benzylpyrazol-4-yl)-1-methyl-4-thiophen-2-ylpyridin-2-one

C20H17N3OS — CID 135355183

IUPAC5-(1-benzylpyrazol-4-yl)-1-methyl-4-thiophen-2-ylpyridin-2-one
SMILESCn1cc(-c2cnn(Cc3ccccc3)c2)c(-c2cccs2)cc1=O
InChIInChI=1S/C20H17N3OS/c1-22-14-18(17(10-20(22)24)19-8-5-9-25-19)16-11-21-23(13-16)12-15-6-3-2-4-7-15/h2-11,13-14H,12H2,1H3
InChIKeyQVSBHAPRISVXJW-UHFFFAOYSA-N
MW347.44 g/mol
LogP4.03
Rot. Bonds4

About 5-(1-benzylpyrazol-4-yl)-1-methyl-4-thiophen-2-ylpyridin-2-one

5-(1-benzylpyrazol-4-yl)-1-methyl-4-thiophen-2-ylpyridin-2-one (PubChem CID 135355183) has the molecular formula C20H17N3OS and a molecular weight of 347.44 g/mol. Its IUPAC name is 5-(1-benzylpyrazol-4-yl)-1-methyl-4-thiophen-2-ylpyridin-2-one.

Molecular Properties

Compound Name5-(1-benzylpyrazol-4-yl)-1-methyl-4-thiophen-2-ylpyridin-2-one
PubChem CID135355183
Molecular FormulaC20H17N3OS
Molecular Weight347.44 g/mol
Exact Mass347.11
IUPAC Name5-(1-benzylpyrazol-4-yl)-1-methyl-4-thiophen-2-ylpyridin-2-one
SMILESCn1cc(-c2cnn(Cc3ccccc3)c2)c(-c2cccs2)cc1=O
InChIInChI=1S/C20H17N3OS/c1-22-14-18(17(10-20(22)24)19-8-5-9-25-19)16-11-21-23(13-16)12-15-6-3-2-4-7-15/h2-11,13-14H,12H2,1H3
InChIKeyQVSBHAPRISVXJW-UHFFFAOYSA-N
XLogP4.03
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(1-benzylpyrazol-4-yl)-1-methyl-4-thiophen-2-ylpyridin-2-one?
The IUPAC name of 5-(1-benzylpyrazol-4-yl)-1-methyl-4-thiophen-2-ylpyridin-2-one (CID 135355183) is 5-(1-benzylpyrazol-4-yl)-1-methyl-4-thiophen-2-ylpyridin-2-one.
What is the SMILES notation for 5-(1-benzylpyrazol-4-yl)-1-methyl-4-thiophen-2-ylpyridin-2-one?
The canonical SMILES for 5-(1-benzylpyrazol-4-yl)-1-methyl-4-thiophen-2-ylpyridin-2-one is Cn1cc(-c2cnn(Cc3ccccc3)c2)c(-c2cccs2)cc1=O.
What is the InChIKey of 5-(1-benzylpyrazol-4-yl)-1-methyl-4-thiophen-2-ylpyridin-2-one?
The InChIKey is QVSBHAPRISVXJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3OS/c1-22-14-18(17(10-20(22)24)19-8-5-9-25-19)16-11-21-23(13-16)12-15-6-3-2-4-7-15/h2-11,13-14H,12H2,1H3.
What are the key properties of 5-(1-benzylpyrazol-4-yl)-1-methyl-4-thiophen-2-ylpyridin-2-one?
5-(1-benzylpyrazol-4-yl)-1-methyl-4-thiophen-2-ylpyridin-2-one has a molecular weight of 347.44 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzylpyrazol-4-yl)-1-methyl-4-thiophen-2-ylpyridin-2-one is sourced from PubChem (CID 135355183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).