(2-oxooxolan-3-yl) 1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxylate

C17H13FN2O4S — CID 2999178

IUPAC(2-oxooxolan-3-yl) 1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxylate
SMILESCc1nn(-c2ccc(F)cc2)c2sc(C(=O)OC3CCOC3=O)cc12
InChIInChI=1S/C17H13FN2O4S/c1-9-12-8-14(17(22)24-13-6-7-23-16(13)21)25-15(12)20(19-9)11-4-2-10(18)3-5-11/h2-5,8,13H,6-7H2,1H3
InChIKeyNZSWRFJIZIXLGX-UHFFFAOYSA-N
MW360.37 g/mol
LogP3.01
Rot. Bonds3

About (2-oxooxolan-3-yl) 1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxylate

(2-oxooxolan-3-yl) 1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxylate (PubChem CID 2999178) has the molecular formula C17H13FN2O4S and a molecular weight of 360.37 g/mol. Its IUPAC name is (2-oxooxolan-3-yl) 1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxylate.

Molecular Properties

Compound Name(2-oxooxolan-3-yl) 1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxylate
PubChem CID2999178
Molecular FormulaC17H13FN2O4S
Molecular Weight360.37 g/mol
Exact Mass360.06
IUPAC Name(2-oxooxolan-3-yl) 1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxylate
SMILESCc1nn(-c2ccc(F)cc2)c2sc(C(=O)OC3CCOC3=O)cc12
InChIInChI=1S/C17H13FN2O4S/c1-9-12-8-14(17(22)24-13-6-7-23-16(13)21)25-15(12)20(19-9)11-4-2-10(18)3-5-11/h2-5,8,13H,6-7H2,1H3
InChIKeyNZSWRFJIZIXLGX-UHFFFAOYSA-N
XLogP3.01
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxylate
CID 7415783
[(3S)-2-oxooxolan-3-yl] 1-[(2,6-dichlorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxylate
CID 25435326
[2-(cyclopropylamino)-2-oxoethyl] 1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxylate
CID 2092336
[(1R)-2-oxocyclohexyl] 3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxylate
CID 8664383
2-methylpropyl 1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxylate
CID 39903158
[2-(cycloheptylamino)-2-oxoethyl] 1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxylate
CID 3660465
[(3R)-2-oxooxolan-3-yl] 4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoate
CID 40985896
[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxylate
CID 16568972
(2-butoxy-2-oxoethyl) 1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxylate
CID 16569064
[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxylate
CID 7415768
[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] 1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxylate
CID 5004205
[2-(1-aminoethyl)piperidin-1-yl]-[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]methanone
CID 119434439

Frequently Asked Questions

What is the IUPAC name of (2-oxooxolan-3-yl) 1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxylate?
The IUPAC name of (2-oxooxolan-3-yl) 1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxylate (CID 2999178) is (2-oxooxolan-3-yl) 1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxylate.
What is the SMILES notation for (2-oxooxolan-3-yl) 1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxylate?
The canonical SMILES for (2-oxooxolan-3-yl) 1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxylate is Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)OC3CCOC3=O)cc12.
What is the InChIKey of (2-oxooxolan-3-yl) 1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxylate?
The InChIKey is NZSWRFJIZIXLGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O4S/c1-9-12-8-14(17(22)24-13-6-7-23-16(13)21)25-15(12)20(19-9)11-4-2-10(18)3-5-11/h2-5,8,13H,6-7H2,1H3.
What are the key properties of (2-oxooxolan-3-yl) 1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxylate?
(2-oxooxolan-3-yl) 1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxylate has a molecular weight of 360.37 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxooxolan-3-yl) 1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxylate is sourced from PubChem (CID 2999178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).