[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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Related Compounds

3-Methyl-5-(4-morpholinylcarbonyl)-1-phenyl-1H-thieno[2,3-c]pyrazole
CID 617776
N-(4-fluorophenyl)-1-methyl-3-(trifluoromethyl)-1H-thieno[2,3-c]pyrazole-5-carboxamide
CID 2808477
3-methyl-N-[2-(4-morpholinyl)ethyl]-1-phenyl-5-thieno[2,3-c]pyrazolecarboxamide
CID 3242544
1-Methyl-3-trifluoromethyl-1H-thieno[2,3-C]pyrazole-5-carboxylic acid (2-mercapto-ethyl)-amide
CID 6852193
1-[(4-fluorophenyl)methyl]-3-methyl-N-(2-morpholin-4-ylphenyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 2521695
3-(2-fluorophenyl)-N-(2-methoxyethyl)-1-methyl-1H-thieno[2,3-c]pyrazole-5-carboxamide
CID 3242757
(4-methylpiperazino)[1-methyl-3-(trifluoromethyl)-1H-thieno[2,3-c]pyrazol-5-yl]methanone
CID 3707797
[3-(4-Chlorophenyl)-1-methylthieno[3,2-d]pyrazol-5-yl]-morpholin-4-ylmethanone
CID 5308778
[3-Methyl-1-(2-methylphenyl)thieno[2,3-c]pyrazol-5-yl]-morpholin-4-ylmethanone
CID 663836
N-(2,4-difluorophenyl)-1-methyl-3-(trifluoromethyl)-1H-thieno[2,3-c]pyrazole-5-carboxamide
CID 1471453
1,3-dimethyl-1H-thieno[2,3-c]pyrazole-5-carboxamide
CID 43237179
N-[4-(4-acetylpiperazin-1-yl)cyclohexyl]-3-methyl-1-(oxan-4-yl)thieno[3,2-d]pyrazole-5-carboxamide
CID 57697894

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).