N,1-dimethyl-4-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetyl]piperazine-2-carboxamide

C17H24F3N5O2 — CID 110086565

IUPACN,1-dimethyl-4-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetyl]piperazine-2-carboxamide
SMILESCNC(=O)C1CN(C(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)CCN1C
InChIInChI=1S/C17H24F3N5O2/c1-21-16(27)13-9-24(8-7-23(13)2)14(26)10-25-12-6-4-3-5-11(12)15(22-25)17(18,19)20/h13H,3-10H2,1-2H3,(H,21,27)
InChIKeyLSQANLXWHCBDHR-UHFFFAOYSA-N
MW387.41 g/mol
LogP0.67
Rot. Bonds3

About N,1-dimethyl-4-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetyl]piperazine-2-carboxamide

N,1-dimethyl-4-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetyl]piperazine-2-carboxamide (PubChem CID 110086565) has the molecular formula C17H24F3N5O2 and a molecular weight of 387.41 g/mol. Its IUPAC name is N,1-dimethyl-4-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetyl]piperazine-2-carboxamide.

Molecular Properties

Compound NameN,1-dimethyl-4-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetyl]piperazine-2-carboxamide
PubChem CID110086565
Molecular FormulaC17H24F3N5O2
Molecular Weight387.41 g/mol
Exact Mass387.19
IUPAC NameN,1-dimethyl-4-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetyl]piperazine-2-carboxamide
SMILESCNC(=O)C1CN(C(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)CCN1C
InChIInChI=1S/C17H24F3N5O2/c1-21-16(27)13-9-24(8-7-23(13)2)14(26)10-25-12-6-4-3-5-11(12)15(22-25)17(18,19)20/h13H,3-10H2,1-2H3,(H,21,27)
InChIKeyLSQANLXWHCBDHR-UHFFFAOYSA-N
XLogP0.67
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.41
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-4-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetyl]piperazine-2-carboxamide?
The IUPAC name of N,1-dimethyl-4-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetyl]piperazine-2-carboxamide (CID 110086565) is N,1-dimethyl-4-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetyl]piperazine-2-carboxamide.
What is the SMILES notation for N,1-dimethyl-4-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetyl]piperazine-2-carboxamide?
The canonical SMILES for N,1-dimethyl-4-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetyl]piperazine-2-carboxamide is CNC(=O)C1CN(C(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)CCN1C.
What is the InChIKey of N,1-dimethyl-4-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetyl]piperazine-2-carboxamide?
The InChIKey is LSQANLXWHCBDHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F3N5O2/c1-21-16(27)13-9-24(8-7-23(13)2)14(26)10-25-12-6-4-3-5-11(12)15(22-25)17(18,19)20/h13H,3-10H2,1-2H3,(H,21,27).
What are the key properties of N,1-dimethyl-4-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetyl]piperazine-2-carboxamide?
N,1-dimethyl-4-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetyl]piperazine-2-carboxamide has a molecular weight of 387.41 g/mol, XLogP of 0.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-4-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetyl]piperazine-2-carboxamide is sourced from PubChem (CID 110086565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).