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

C17H24F3N5O2 — CID 124978262

IUPAC(2R)-N,1-dimethyl-4-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetyl]piperazine-2-carboxamide
SMILESCNC(=O)[C@H]1CN(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)/t13-/m1/s1
InChIKeyLSQANLXWHCBDHR-CYBMUJFWSA-N
MW387.41 g/mol
LogP0.67
Rot. Bonds3

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

(2R)-N,1-dimethyl-4-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetyl]piperazine-2-carboxamide (PubChem CID 124978262) has the molecular formula C17H24F3N5O2 and a molecular weight of 387.41 g/mol. Its IUPAC name is (2R)-N,1-dimethyl-4-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetyl]piperazine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N,1-dimethyl-4-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetyl]piperazine-2-carboxamide
PubChem CID124978262
Molecular FormulaC17H24F3N5O2
Molecular Weight387.41 g/mol
Exact Mass387.19
IUPAC Name(2R)-N,1-dimethyl-4-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetyl]piperazine-2-carboxamide
SMILESCNC(=O)[C@H]1CN(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)/t13-/m1/s1
InChIKeyLSQANLXWHCBDHR-CYBMUJFWSA-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

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

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Related Compounds

N,1-dimethyl-4-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetyl]piperazine-2-carboxamide
CID 110086565
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethanone
CID 1129699
1-morpholin-4-yl-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]ethanone
CID 1223613
methyl 2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetate
CID 788041
1-[3-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]ethanone
CID 154845312
2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
CID 788042
N,1-dimethyl-4-[[2-[3-(trifluoromethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-1-yl]acetyl]amino]pyrazole-3-carboxamide
CID 19523830
1-[2-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethanone
CID 163340199
N-butan-2-yl-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
CID 3136365
2-propyl-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]pentanamide
CID 90614777
1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)-2-[3-(trifluoromethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-1-yl]ethanone
CID 19527754
N-cycloheptyl-2-[3-(trifluoromethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-1-yl]acetamide
CID 19527311

Frequently Asked Questions

What is the IUPAC name of (2R)-N,1-dimethyl-4-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetyl]piperazine-2-carboxamide?
The IUPAC name of (2R)-N,1-dimethyl-4-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetyl]piperazine-2-carboxamide (CID 124978262) is (2R)-N,1-dimethyl-4-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetyl]piperazine-2-carboxamide.
What is the SMILES notation for (2R)-N,1-dimethyl-4-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetyl]piperazine-2-carboxamide?
The canonical SMILES for (2R)-N,1-dimethyl-4-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetyl]piperazine-2-carboxamide is CNC(=O)[C@H]1CN(C(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)CCN1C.
What is the InChIKey of (2R)-N,1-dimethyl-4-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetyl]piperazine-2-carboxamide?
The InChIKey is LSQANLXWHCBDHR-CYBMUJFWSA-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)/t13-/m1/s1.
What are the key properties of (2R)-N,1-dimethyl-4-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetyl]piperazine-2-carboxamide?
(2R)-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 (2R)-N,1-dimethyl-4-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetyl]piperazine-2-carboxamide is sourced from PubChem (CID 124978262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).