N-[2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)ethyl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide

C16H16F3N7O2S — CID 95801911

IUPACN-[2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)ethyl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide
SMILESO=C(Cn1nc(C(F)(F)F)c2c1CCC2)NCCn1nnn(-c2cccs2)c1=O
InChIInChI=1S/C16H16F3N7O2S/c17-16(18,19)14-10-3-1-4-11(10)25(21-14)9-12(27)20-6-7-24-15(28)26(23-22-24)13-5-2-8-29-13/h2,5,8H,1,3-4,6-7,9H2,(H,20,27)
InChIKeyPDFKOHKWYYKVMJ-UHFFFAOYSA-N
MW427.41 g/mol
LogP1.01
Rot. Bonds6

About N-[2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)ethyl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide

N-[2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)ethyl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide (PubChem CID 95801911) has the molecular formula C16H16F3N7O2S and a molecular weight of 427.41 g/mol. Its IUPAC name is N-[2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)ethyl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)ethyl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide
PubChem CID95801911
Molecular FormulaC16H16F3N7O2S
Molecular Weight427.41 g/mol
Exact Mass427.10
IUPAC NameN-[2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)ethyl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide
SMILESO=C(Cn1nc(C(F)(F)F)c2c1CCC2)NCCn1nnn(-c2cccs2)c1=O
InChIInChI=1S/C16H16F3N7O2S/c17-16(18,19)14-10-3-1-4-11(10)25(21-14)9-12(27)20-6-7-24-15(28)26(23-22-24)13-5-2-8-29-13/h2,5,8H,1,3-4,6-7,9H2,(H,20,27)
InChIKeyPDFKOHKWYYKVMJ-UHFFFAOYSA-N
XLogP1.01
TPSA99.63 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.41
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-[2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)ethyl]-2-thiophen-2-ylacetamide
CID 95801873
2-methoxy-N-[2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)ethyl]acetamide
CID 95801874
N-[2-(3-methylpyrazol-1-yl)ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
CID 16677485
N-[(4-chlorophenyl)methyl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide
CID 17444690
2-[[2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 39018282
4-(trifluoromethyl)-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]benzamide
CID 90614856
N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
CID 139020013
N-pyridin-2-yl-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
CID 58267378
N-[(2-methyltriazol-4-yl)methyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
CID 136565212
4-oxo-N-[2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)ethyl]-3H-phthalazine-1-carboxamide
CID 95801895
4-[[2-[3-(trifluoromethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-1-yl]acetyl]amino]butanoyl chloride
CID 19523661
N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide
CID 19590958

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)ethyl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide?
The IUPAC name of N-[2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)ethyl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide (CID 95801911) is N-[2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)ethyl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide.
What is the SMILES notation for N-[2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)ethyl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide?
The canonical SMILES for N-[2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)ethyl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide is O=C(Cn1nc(C(F)(F)F)c2c1CCC2)NCCn1nnn(-c2cccs2)c1=O.
What is the InChIKey of N-[2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)ethyl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide?
The InChIKey is PDFKOHKWYYKVMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N7O2S/c17-16(18,19)14-10-3-1-4-11(10)25(21-14)9-12(27)20-6-7-24-15(28)26(23-22-24)13-5-2-8-29-13/h2,5,8H,1,3-4,6-7,9H2,(H,20,27).
What are the key properties of N-[2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)ethyl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide?
N-[2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)ethyl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide has a molecular weight of 427.41 g/mol, XLogP of 1.01, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)ethyl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide is sourced from PubChem (CID 95801911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).