(5-methyl-2-oxooxolan-3-yl) 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate

C19H16N2O4S — CID 55377487

IUPAC(5-methyl-2-oxooxolan-3-yl) 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate
SMILESCC1CC(OC(=O)c2cn(-c3ccccc3)nc2-c2cccs2)C(=O)O1
InChIInChI=1S/C19H16N2O4S/c1-12-10-15(19(23)24-12)25-18(22)14-11-21(13-6-3-2-4-7-13)20-17(14)16-8-5-9-26-16/h2-9,11-12,15H,10H2,1H3
InChIKeyXYBLUQDJDUTTHG-UHFFFAOYSA-N
MW368.41 g/mol
LogP3.46
Rot. Bonds4

About (5-methyl-2-oxooxolan-3-yl) 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate

(5-methyl-2-oxooxolan-3-yl) 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate (PubChem CID 55377487) has the molecular formula C19H16N2O4S and a molecular weight of 368.41 g/mol. Its IUPAC name is (5-methyl-2-oxooxolan-3-yl) 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate.

Molecular Properties

Compound Name(5-methyl-2-oxooxolan-3-yl) 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate
PubChem CID55377487
Molecular FormulaC19H16N2O4S
Molecular Weight368.41 g/mol
Exact Mass368.08
IUPAC Name(5-methyl-2-oxooxolan-3-yl) 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate
SMILESCC1CC(OC(=O)c2cn(-c3ccccc3)nc2-c2cccs2)C(=O)O1
InChIInChI=1S/C19H16N2O4S/c1-12-10-15(19(23)24-12)25-18(22)14-11-21(13-6-3-2-4-7-13)20-17(14)16-8-5-9-26-16/h2-9,11-12,15H,10H2,1H3
InChIKeyXYBLUQDJDUTTHG-UHFFFAOYSA-N
XLogP3.46
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[(3S)-2-oxooxolan-3-yl] 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate
CID 2579305
[(1S)-2-oxocyclohexyl] 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate
CID 7841183
2-methoxyethyl 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate
CID 27914141
cyanomethyl 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate
CID 2579298
[(3S,5R)-5-methyl-2-oxooxolan-3-yl] 4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxylate
CID 39967363
azetidin-1-yl-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone
CID 7677674
[1-(4-acetylpiperazin-1-yl)-1-oxopropan-2-yl] 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate
CID 55525256
N-(2-methylpiperidin-4-yl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 120600789
[2-(1-cyclopropylethylamino)-2-oxoethyl] 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate
CID 55398793
[2-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate
CID 2580340
[2-(4-acetamidoanilino)-2-oxoethyl] 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate
CID 16530570
2-(4-methoxyphenyl)ethyl 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate
CID 7841176

Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-oxooxolan-3-yl) 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate?
The IUPAC name of (5-methyl-2-oxooxolan-3-yl) 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate (CID 55377487) is (5-methyl-2-oxooxolan-3-yl) 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate.
What is the SMILES notation for (5-methyl-2-oxooxolan-3-yl) 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate?
The canonical SMILES for (5-methyl-2-oxooxolan-3-yl) 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate is CC1CC(OC(=O)c2cn(-c3ccccc3)nc2-c2cccs2)C(=O)O1.
What is the InChIKey of (5-methyl-2-oxooxolan-3-yl) 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate?
The InChIKey is XYBLUQDJDUTTHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O4S/c1-12-10-15(19(23)24-12)25-18(22)14-11-21(13-6-3-2-4-7-13)20-17(14)16-8-5-9-26-16/h2-9,11-12,15H,10H2,1H3.
What are the key properties of (5-methyl-2-oxooxolan-3-yl) 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate?
(5-methyl-2-oxooxolan-3-yl) 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate has a molecular weight of 368.41 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2-oxooxolan-3-yl) 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate is sourced from PubChem (CID 55377487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).