(2-oxooxolan-3-yl) 5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxylate

C15H12F3N3O4 — CID 42937019

IUPAC(2-oxooxolan-3-yl) 5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxylate
SMILESCc1c(C(=O)OC2CCOC2=O)cnn1-c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C15H12F3N3O4/c1-8-10(13(22)25-11-4-5-24-14(11)23)7-20-21(8)12-3-2-9(6-19-12)15(16,17)18/h2-3,6-7,11H,4-5H2,1H3
InChIKeyQALHASZXHUMPPD-UHFFFAOYSA-N
MW355.27 g/mol
LogP2.07
Rot. Bonds3

About (2-oxooxolan-3-yl) 5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxylate

(2-oxooxolan-3-yl) 5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxylate (PubChem CID 42937019) has the molecular formula C15H12F3N3O4 and a molecular weight of 355.27 g/mol. Its IUPAC name is (2-oxooxolan-3-yl) 5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxylate.

Molecular Properties

Compound Name(2-oxooxolan-3-yl) 5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxylate
PubChem CID42937019
Molecular FormulaC15H12F3N3O4
Molecular Weight355.27 g/mol
Exact Mass355.08
IUPAC Name(2-oxooxolan-3-yl) 5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxylate
SMILESCc1c(C(=O)OC2CCOC2=O)cnn1-c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C15H12F3N3O4/c1-8-10(13(22)25-11-4-5-24-14(11)23)7-20-21(8)12-3-2-9(6-19-12)15(16,17)18/h2-3,6-7,11H,4-5H2,1H3
InChIKeyQALHASZXHUMPPD-UHFFFAOYSA-N
XLogP2.07
TPSA83.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.27
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2-oxooxolan-3-yl) 5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxylate?
The IUPAC name of (2-oxooxolan-3-yl) 5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxylate (CID 42937019) is (2-oxooxolan-3-yl) 5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxylate.
What is the SMILES notation for (2-oxooxolan-3-yl) 5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxylate?
The canonical SMILES for (2-oxooxolan-3-yl) 5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxylate is Cc1c(C(=O)OC2CCOC2=O)cnn1-c1ccc(C(F)(F)F)cn1.
What is the InChIKey of (2-oxooxolan-3-yl) 5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxylate?
The InChIKey is QALHASZXHUMPPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N3O4/c1-8-10(13(22)25-11-4-5-24-14(11)23)7-20-21(8)12-3-2-9(6-19-12)15(16,17)18/h2-3,6-7,11H,4-5H2,1H3.
What are the key properties of (2-oxooxolan-3-yl) 5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxylate?
(2-oxooxolan-3-yl) 5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxylate has a molecular weight of 355.27 g/mol, XLogP of 2.07, 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) 5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxylate is sourced from PubChem (CID 42937019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).