1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]methanone

C14H15F3N6OS — CID 77087905

IUPAC1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]methanone
SMILESO=C(c1n[nH]c2c1CCC2)N1CCN(c2nnc(C(F)(F)F)s2)CC1
InChIInChI=1S/C14H15F3N6OS/c15-14(16,17)12-20-21-13(25-12)23-6-4-22(5-7-23)11(24)10-8-2-1-3-9(8)18-19-10/h1-7H2,(H,18,19)
InChIKeyHDNDUFWLOWGJSE-UHFFFAOYSA-N
MW372.38 g/mol
LogP1.73
Rot. Bonds2

About 1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]methanone

1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]methanone (PubChem CID 77087905) has the molecular formula C14H15F3N6OS and a molecular weight of 372.38 g/mol. Its IUPAC name is 1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]methanone
PubChem CID77087905
Molecular FormulaC14H15F3N6OS
Molecular Weight372.38 g/mol
Exact Mass372.10
IUPAC Name1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]methanone
SMILESO=C(c1n[nH]c2c1CCC2)N1CCN(c2nnc(C(F)(F)F)s2)CC1
InChIInChI=1S/C14H15F3N6OS/c15-14(16,17)12-20-21-13(25-12)23-6-4-22(5-7-23)11(24)10-8-2-1-3-9(8)18-19-10/h1-7H2,(H,18,19)
InChIKeyHDNDUFWLOWGJSE-UHFFFAOYSA-N
XLogP1.73
TPSA78.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]methanone?
The IUPAC name of 1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]methanone (CID 77087905) is 1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]methanone.
What is the SMILES notation for 1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]methanone?
The canonical SMILES for 1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]methanone is O=C(c1n[nH]c2c1CCC2)N1CCN(c2nnc(C(F)(F)F)s2)CC1.
What is the InChIKey of 1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]methanone?
The InChIKey is HDNDUFWLOWGJSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N6OS/c15-14(16,17)12-20-21-13(25-12)23-6-4-22(5-7-23)11(24)10-8-2-1-3-9(8)18-19-10/h1-7H2,(H,18,19).
What are the key properties of 1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]methanone?
1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]methanone has a molecular weight of 372.38 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 77087905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).