N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide

C15H22F3N5O — CID 120810635

IUPACN-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide
SMILESO=C(NCC(N1CCNCC1)C(F)(F)F)C1CCc2cn[nH]c2C1
InChIInChI=1S/C15H22F3N5O/c16-15(17,18)13(23-5-3-19-4-6-23)9-20-14(24)10-1-2-11-8-21-22-12(11)7-10/h8,10,13,19H,1-7,9H2,(H,20,24)(H,21,22)
InChIKeyLOODGDKREBAVAC-UHFFFAOYSA-N
MW345.37 g/mol
LogP0.47
Rot. Bonds4

About N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide

N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide (PubChem CID 120810635) has the molecular formula C15H22F3N5O and a molecular weight of 345.37 g/mol. Its IUPAC name is N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide.

Molecular Properties

Compound NameN-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide
PubChem CID120810635
Molecular FormulaC15H22F3N5O
Molecular Weight345.37 g/mol
Exact Mass345.18
IUPAC NameN-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide
SMILESO=C(NCC(N1CCNCC1)C(F)(F)F)C1CCc2cn[nH]c2C1
InChIInChI=1S/C15H22F3N5O/c16-15(17,18)13(23-5-3-19-4-6-23)9-20-14(24)10-1-2-11-8-21-22-12(11)7-10/h8,10,13,19H,1-7,9H2,(H,20,24)(H,21,22)
InChIKeyLOODGDKREBAVAC-UHFFFAOYSA-N
XLogP0.47
TPSA73.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide?
The IUPAC name of N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide (CID 120810635) is N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide.
What is the SMILES notation for N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide?
The canonical SMILES for N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide is O=C(NCC(N1CCNCC1)C(F)(F)F)C1CCc2cn[nH]c2C1.
What is the InChIKey of N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide?
The InChIKey is LOODGDKREBAVAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3N5O/c16-15(17,18)13(23-5-3-19-4-6-23)9-20-14(24)10-1-2-11-8-21-22-12(11)7-10/h8,10,13,19H,1-7,9H2,(H,20,24)(H,21,22).
What are the key properties of N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide?
N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide has a molecular weight of 345.37 g/mol, XLogP of 0.47, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide is sourced from PubChem (CID 120810635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).