methyl 6-methyl-4-[4-(trifluoromethyl)thiophen-3-yl]pyrazolo[1,5-a]pyrazine-2-carboxylate

C14H10F3N3O2S — CID 139600032

IUPACmethyl 6-methyl-4-[4-(trifluoromethyl)thiophen-3-yl]pyrazolo[1,5-a]pyrazine-2-carboxylate
SMILESCOC(=O)c1cc2c(-c3cscc3C(F)(F)F)nc(C)cn2n1
InChIInChI=1S/C14H10F3N3O2S/c1-7-4-20-11(3-10(19-20)13(21)22-2)12(18-7)8-5-23-6-9(8)14(15,16)17/h3-6H,1-2H3
InChIKeyYOVXXHKCEAHKJD-UHFFFAOYSA-N
MW341.31 g/mol
LogP3.57
Rot. Bonds2

About methyl 6-methyl-4-[4-(trifluoromethyl)thiophen-3-yl]pyrazolo[1,5-a]pyrazine-2-carboxylate

methyl 6-methyl-4-[4-(trifluoromethyl)thiophen-3-yl]pyrazolo[1,5-a]pyrazine-2-carboxylate (PubChem CID 139600032) has the molecular formula C14H10F3N3O2S and a molecular weight of 341.31 g/mol. Its IUPAC name is methyl 6-methyl-4-[4-(trifluoromethyl)thiophen-3-yl]pyrazolo[1,5-a]pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-methyl-4-[4-(trifluoromethyl)thiophen-3-yl]pyrazolo[1,5-a]pyrazine-2-carboxylate
PubChem CID139600032
Molecular FormulaC14H10F3N3O2S
Molecular Weight341.31 g/mol
Exact Mass341.04
IUPAC Namemethyl 6-methyl-4-[4-(trifluoromethyl)thiophen-3-yl]pyrazolo[1,5-a]pyrazine-2-carboxylate
SMILESCOC(=O)c1cc2c(-c3cscc3C(F)(F)F)nc(C)cn2n1
InChIInChI=1S/C14H10F3N3O2S/c1-7-4-20-11(3-10(19-20)13(21)22-2)12(18-7)8-5-23-6-9(8)14(15,16)17/h3-6H,1-2H3
InChIKeyYOVXXHKCEAHKJD-UHFFFAOYSA-N
XLogP3.57
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.31
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 6-methyl-4-[4-(trifluoromethyl)thiophen-3-yl]pyrazolo[1,5-a]pyrazine-2-carboxylate?
The IUPAC name of methyl 6-methyl-4-[4-(trifluoromethyl)thiophen-3-yl]pyrazolo[1,5-a]pyrazine-2-carboxylate (CID 139600032) is methyl 6-methyl-4-[4-(trifluoromethyl)thiophen-3-yl]pyrazolo[1,5-a]pyrazine-2-carboxylate.
What is the SMILES notation for methyl 6-methyl-4-[4-(trifluoromethyl)thiophen-3-yl]pyrazolo[1,5-a]pyrazine-2-carboxylate?
The canonical SMILES for methyl 6-methyl-4-[4-(trifluoromethyl)thiophen-3-yl]pyrazolo[1,5-a]pyrazine-2-carboxylate is COC(=O)c1cc2c(-c3cscc3C(F)(F)F)nc(C)cn2n1.
What is the InChIKey of methyl 6-methyl-4-[4-(trifluoromethyl)thiophen-3-yl]pyrazolo[1,5-a]pyrazine-2-carboxylate?
The InChIKey is YOVXXHKCEAHKJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N3O2S/c1-7-4-20-11(3-10(19-20)13(21)22-2)12(18-7)8-5-23-6-9(8)14(15,16)17/h3-6H,1-2H3.
What are the key properties of methyl 6-methyl-4-[4-(trifluoromethyl)thiophen-3-yl]pyrazolo[1,5-a]pyrazine-2-carboxylate?
methyl 6-methyl-4-[4-(trifluoromethyl)thiophen-3-yl]pyrazolo[1,5-a]pyrazine-2-carboxylate has a molecular weight of 341.31 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-methyl-4-[4-(trifluoromethyl)thiophen-3-yl]pyrazolo[1,5-a]pyrazine-2-carboxylate is sourced from PubChem (CID 139600032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).