azocan-1-yl-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone

C17H20F3N3OS — CID 58955900

IUPACazocan-1-yl-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone
SMILESCn1nc(-c2ccc(C(=O)N3CCCCCCC3)s2)cc1C(F)(F)F
InChIInChI=1S/C17H20F3N3OS/c1-22-15(17(18,19)20)11-12(21-22)13-7-8-14(25-13)16(24)23-9-5-3-2-4-6-10-23/h7-8,11H,2-6,9-10H2,1H3
InChIKeyVXHGOEWHJHSAFF-UHFFFAOYSA-N
MW371.43 g/mol
LogP4.57
Rot. Bonds2

About azocan-1-yl-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone

azocan-1-yl-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone (PubChem CID 58955900) has the molecular formula C17H20F3N3OS and a molecular weight of 371.43 g/mol. Its IUPAC name is azocan-1-yl-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone.

Molecular Properties

Compound Nameazocan-1-yl-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone
PubChem CID58955900
Molecular FormulaC17H20F3N3OS
Molecular Weight371.43 g/mol
Exact Mass371.13
IUPAC Nameazocan-1-yl-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone
SMILESCn1nc(-c2ccc(C(=O)N3CCCCCCC3)s2)cc1C(F)(F)F
InChIInChI=1S/C17H20F3N3OS/c1-22-15(17(18,19)20)11-12(21-22)13-7-8-14(25-13)16(24)23-9-5-3-2-4-6-10-23/h7-8,11H,2-6,9-10H2,1H3
InChIKeyVXHGOEWHJHSAFF-UHFFFAOYSA-N
XLogP4.57
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.43
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze azocan-1-yl-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

aziridin-1-yl-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone
CID 58955761
5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl chloride
CID 22288389
[4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenyl]-piperidin-1-ylmethanone
CID 58955857
(4-fluorophenyl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone
CID 58955847
5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-propylthiophene-2-carboxamide
CID 23628030
3-(dimethylamino)-1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]prop-2-en-1-one
CID 2820304
(4-hydroxypiperidin-1-yl)-[5-[1-prop-1-en-2-yl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone
CID 162559924
N-(2-aminoethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide
CID 58955928
azocan-1-yl-[2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-2,3-dihydrothiophen-5-yl]methanone
CID 163892823
1-azabicyclo[2.2.2]octan-3-ylmethyl 5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxylate
CID 70827537
5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbaldehyde
CID 2775667
N-(2-bicyclo[2.2.2]octanyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide
CID 58329684

Frequently Asked Questions

What is the IUPAC name of azocan-1-yl-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone?
The IUPAC name of azocan-1-yl-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone (CID 58955900) is azocan-1-yl-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone.
What is the SMILES notation for azocan-1-yl-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone?
The canonical SMILES for azocan-1-yl-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone is Cn1nc(-c2ccc(C(=O)N3CCCCCCC3)s2)cc1C(F)(F)F.
What is the InChIKey of azocan-1-yl-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone?
The InChIKey is VXHGOEWHJHSAFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N3OS/c1-22-15(17(18,19)20)11-12(21-22)13-7-8-14(25-13)16(24)23-9-5-3-2-4-6-10-23/h7-8,11H,2-6,9-10H2,1H3.
What are the key properties of azocan-1-yl-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone?
azocan-1-yl-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone has a molecular weight of 371.43 g/mol, XLogP of 4.57, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azocan-1-yl-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone is sourced from PubChem (CID 58955900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).