[(3S)-2-oxooxolan-3-yl] 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate

C18H14N2O4S — CID 2579305

IUPAC[(3S)-2-oxooxolan-3-yl] 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate
SMILESO=C(O[C@H]1CCOC1=O)c1cn(-c2ccccc2)nc1-c1cccs1
InChIInChI=1S/C18H14N2O4S/c21-17(24-14-8-9-23-18(14)22)13-11-20(12-5-2-1-3-6-12)19-16(13)15-7-4-10-25-15/h1-7,10-11,14H,8-9H2/t14-/m0/s1
InChIKeyYWTYEOQGHRDPEN-AWEZNQCLSA-N
MW354.39 g/mol
LogP3.07
Rot. Bonds4

About [(3S)-2-oxooxolan-3-yl] 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate

[(3S)-2-oxooxolan-3-yl] 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate (PubChem CID 2579305) has the molecular formula C18H14N2O4S and a molecular weight of 354.39 g/mol. Its IUPAC name is [(3S)-2-oxooxolan-3-yl] 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate.

Molecular Properties

Compound Name[(3S)-2-oxooxolan-3-yl] 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate
PubChem CID2579305
Molecular FormulaC18H14N2O4S
Molecular Weight354.39 g/mol
Exact Mass354.07
IUPAC Name[(3S)-2-oxooxolan-3-yl] 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate
SMILESO=C(O[C@H]1CCOC1=O)c1cn(-c2ccccc2)nc1-c1cccs1
InChIInChI=1S/C18H14N2O4S/c21-17(24-14-8-9-23-18(14)22)13-11-20(12-5-2-1-3-6-12)19-16(13)15-7-4-10-25-15/h1-7,10-11,14H,8-9H2/t14-/m0/s1
InChIKeyYWTYEOQGHRDPEN-AWEZNQCLSA-N
XLogP3.07
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(5-methyl-2-oxooxolan-3-yl) 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate
CID 55377487
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CID 7841183
[(3S)-2-oxooxolan-3-yl] 1-phenyl-3-pyridin-3-ylpyrazole-4-carboxylate
CID 8644797
[(3S)-2-oxooxolan-3-yl] 3-(2,5-dimethoxyphenyl)-1-phenylpyrazole-4-carboxylate
CID 7684985
[(3S)-2-oxooxolan-3-yl] 1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazole-4-carboxylate
CID 7726961
2-methoxyethyl 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate
CID 27914141
cyanomethyl 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate
CID 2579298
azetidin-1-yl-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone
CID 7677674
(4-aminopiperidin-1-yl)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone;hydrochloride
CID 119375478
[2-(1-cyclopropylethylamino)-2-oxoethyl] 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate
CID 55398793
[(3S)-2-oxooxolan-3-yl] 1-benzyl-3-phenylpyrazole-4-carboxylate
CID 8536992
[1-(4-acetylpiperazin-1-yl)-1-oxopropan-2-yl] 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate
CID 55525256

Frequently Asked Questions

What is the IUPAC name of [(3S)-2-oxooxolan-3-yl] 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate?
The IUPAC name of [(3S)-2-oxooxolan-3-yl] 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate (CID 2579305) is [(3S)-2-oxooxolan-3-yl] 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate.
What is the SMILES notation for [(3S)-2-oxooxolan-3-yl] 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate?
The canonical SMILES for [(3S)-2-oxooxolan-3-yl] 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate is O=C(O[C@H]1CCOC1=O)c1cn(-c2ccccc2)nc1-c1cccs1.
What is the InChIKey of [(3S)-2-oxooxolan-3-yl] 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate?
The InChIKey is YWTYEOQGHRDPEN-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H14N2O4S/c21-17(24-14-8-9-23-18(14)22)13-11-20(12-5-2-1-3-6-12)19-16(13)15-7-4-10-25-15/h1-7,10-11,14H,8-9H2/t14-/m0/s1.
What are the key properties of [(3S)-2-oxooxolan-3-yl] 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate?
[(3S)-2-oxooxolan-3-yl] 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate has a molecular weight of 354.39 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-2-oxooxolan-3-yl] 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate is sourced from PubChem (CID 2579305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).