[1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazol-5-yl]-morpholin-4-ylmethanone

C12H12F3N3O2S — CID 1471458

IUPAC[1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazol-5-yl]-morpholin-4-ylmethanone
SMILESCn1nc(C(F)(F)F)c2cc(C(=O)N3CCOCC3)sc21
InChIInChI=1S/C12H12F3N3O2S/c1-17-11-7(9(16-17)12(13,14)15)6-8(21-11)10(19)18-2-4-20-5-3-18/h6H,2-5H2,1H3
InChIKeyWISKVYUEUFHHJB-UHFFFAOYSA-N
MW319.31 g/mol
LogP2.13
Rot. Bonds1

About [1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazol-5-yl]-morpholin-4-ylmethanone

[1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazol-5-yl]-morpholin-4-ylmethanone (PubChem CID 1471458) has the molecular formula C12H12F3N3O2S and a molecular weight of 319.31 g/mol. Its IUPAC name is [1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazol-5-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazol-5-yl]-morpholin-4-ylmethanone
PubChem CID1471458
Molecular FormulaC12H12F3N3O2S
Molecular Weight319.31 g/mol
Exact Mass319.06
IUPAC Name[1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazol-5-yl]-morpholin-4-ylmethanone
SMILESCn1nc(C(F)(F)F)c2cc(C(=O)N3CCOCC3)sc21
InChIInChI=1S/C12H12F3N3O2S/c1-17-11-7(9(16-17)12(13,14)15)6-8(21-11)10(19)18-2-4-20-5-3-18/h6H,2-5H2,1H3
InChIKeyWISKVYUEUFHHJB-UHFFFAOYSA-N
XLogP2.13
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.31
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazol-5-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazol-5-yl]-morpholin-4-ylmethanone (CID 1471458) is [1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazol-5-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazol-5-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazol-5-yl]-morpholin-4-ylmethanone is Cn1nc(C(F)(F)F)c2cc(C(=O)N3CCOCC3)sc21.
What is the InChIKey of [1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazol-5-yl]-morpholin-4-ylmethanone?
The InChIKey is WISKVYUEUFHHJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3O2S/c1-17-11-7(9(16-17)12(13,14)15)6-8(21-11)10(19)18-2-4-20-5-3-18/h6H,2-5H2,1H3.
What are the key properties of [1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazol-5-yl]-morpholin-4-ylmethanone?
[1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazol-5-yl]-morpholin-4-ylmethanone has a molecular weight of 319.31 g/mol, XLogP of 2.13, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazol-5-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 1471458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).