3-piperazin-1-yl-5-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole

C12H17F3N4 — CID 64754311

IUPAC3-piperazin-1-yl-5-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole
SMILESFC(F)(F)C1CCc2[nH]nc(N3CCNCC3)c2C1
InChIInChI=1S/C12H17F3N4/c13-12(14,15)8-1-2-10-9(7-8)11(18-17-10)19-5-3-16-4-6-19/h8,16H,1-7H2,(H,17,18)
InChIKeyDUEDQVBRUYOIOY-UHFFFAOYSA-N
MW274.29 g/mol
LogP1.49
Rot. Bonds1

About 3-piperazin-1-yl-5-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole

3-piperazin-1-yl-5-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole (PubChem CID 64754311) has the molecular formula C12H17F3N4 and a molecular weight of 274.29 g/mol. Its IUPAC name is 3-piperazin-1-yl-5-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole.

Molecular Properties

Compound Name3-piperazin-1-yl-5-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole
PubChem CID64754311
Molecular FormulaC12H17F3N4
Molecular Weight274.29 g/mol
Exact Mass274.14
IUPAC Name3-piperazin-1-yl-5-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole
SMILESFC(F)(F)C1CCc2[nH]nc(N3CCNCC3)c2C1
InChIInChI=1S/C12H17F3N4/c13-12(14,15)8-1-2-10-9(7-8)11(18-17-10)19-5-3-16-4-6-19/h8,16H,1-7H2,(H,17,18)
InChIKeyDUEDQVBRUYOIOY-UHFFFAOYSA-N
XLogP1.49
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-Methyl-3-(trifluoromethyl)-2,4,5,6-tetrahydropyrazolo[3,4-b]pyridine
CID 69920224
N-methyl-5-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-3-amine
CID 64754303
N-ethyl-5-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-3-amine
CID 64754304
N-propyl-5-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-3-amine
CID 64754305
N-propan-2-yl-5-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-3-amine
CID 64754306
N-cyclopropyl-5-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-3-amine
CID 64754307
N-tert-butyl-5-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-3-amine
CID 64754308
N-(2-methylpropyl)-5-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-3-amine
CID 64754309
N-(2-methoxyethyl)-5-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-3-amine
CID 64754310
3-(1,4-diazepan-1-yl)-5-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole
CID 114697156
1-[5-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]pyrrolidin-3-amine
CID 114697501
1-[5-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]piperidin-4-amine
CID 114697691

Frequently Asked Questions

What is the IUPAC name of 3-piperazin-1-yl-5-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole?
The IUPAC name of 3-piperazin-1-yl-5-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole (CID 64754311) is 3-piperazin-1-yl-5-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole.
What is the SMILES notation for 3-piperazin-1-yl-5-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole?
The canonical SMILES for 3-piperazin-1-yl-5-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole is FC(F)(F)C1CCc2[nH]nc(N3CCNCC3)c2C1.
What is the InChIKey of 3-piperazin-1-yl-5-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole?
The InChIKey is DUEDQVBRUYOIOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4/c13-12(14,15)8-1-2-10-9(7-8)11(18-17-10)19-5-3-16-4-6-19/h8,16H,1-7H2,(H,17,18).
What are the key properties of 3-piperazin-1-yl-5-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole?
3-piperazin-1-yl-5-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole has a molecular weight of 274.29 g/mol, XLogP of 1.49, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperazin-1-yl-5-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole is sourced from PubChem (CID 64754311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).