N-[(1-propan-2-ylpiperidin-3-yl)methyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide

C19H29F3N4O — CID 16673279

IUPACN-[(1-propan-2-ylpiperidin-3-yl)methyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
SMILESCC(C)N1CCCC(CNC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)C1
InChIInChI=1S/C19H29F3N4O/c1-13(2)25-9-5-6-14(11-25)10-23-17(27)12-26-16-8-4-3-7-15(16)18(24-26)19(20,21)22/h13-14H,3-12H2,1-2H3,(H,23,27)
InChIKeyBUOZAPDZPIOWRV-UHFFFAOYSA-N
MW386.46 g/mol
LogP3.02
Rot. Bonds5

About N-[(1-propan-2-ylpiperidin-3-yl)methyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide

N-[(1-propan-2-ylpiperidin-3-yl)methyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide (PubChem CID 16673279) has the molecular formula C19H29F3N4O and a molecular weight of 386.46 g/mol. Its IUPAC name is N-[(1-propan-2-ylpiperidin-3-yl)methyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[(1-propan-2-ylpiperidin-3-yl)methyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
PubChem CID16673279
Molecular FormulaC19H29F3N4O
Molecular Weight386.46 g/mol
Exact Mass386.23
IUPAC NameN-[(1-propan-2-ylpiperidin-3-yl)methyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
SMILESCC(C)N1CCCC(CNC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)C1
InChIInChI=1S/C19H29F3N4O/c1-13(2)25-9-5-6-14(11-25)10-23-17(27)12-26-16-8-4-3-7-15(16)18(24-26)19(20,21)22/h13-14H,3-12H2,1-2H3,(H,23,27)
InChIKeyBUOZAPDZPIOWRV-UHFFFAOYSA-N
XLogP3.02
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(Trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
CID 788042
1-(4-Methyl-piperidin-1-yl)-2-(3-trifluoromethyl-4,5,6,7-tetrahydro-indazol-1-yl)-ethanone
CID 649781
N-[2-(2-methylpiperidin-1-yl)ethyl]-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide
CID 5309025
N-[3-(4-ethylpiperazin-1-yl)propyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
CID 5309687
N-isobutyl-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]acetamide
CID 798599
N-butan-2-yl-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide
CID 3136372
N-Isopropyl-2-(3-trifluoromethyl-5,6-dihydro-4H-cyclopentapyrazol-1-yl)-acetamide
CID 1129760
N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
CID 5309382
N-[3-[cyclohexyl(methyl)amino]propyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
CID 5309567
N-cyclohexyl-2-(3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-1(4H)-yl)acetamide
CID 647534
N-(2-Morpholin-4-yl-ethyl)-2-(3-trifluoromethyl-4,5,6,7-tetrahydro-indazol-1-yl)-acetamide
CID 647842
N-Cyclopentyl-2-(3-trifluoromethyl-4,5,6,7-tetrahydro-indazol-1-yl)-acetamide
CID 650832

Frequently Asked Questions

What is the IUPAC name of N-[(1-propan-2-ylpiperidin-3-yl)methyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide?
The IUPAC name of N-[(1-propan-2-ylpiperidin-3-yl)methyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide (CID 16673279) is N-[(1-propan-2-ylpiperidin-3-yl)methyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide.
What is the SMILES notation for N-[(1-propan-2-ylpiperidin-3-yl)methyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide?
The canonical SMILES for N-[(1-propan-2-ylpiperidin-3-yl)methyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide is CC(C)N1CCCC(CNC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)C1.
What is the InChIKey of N-[(1-propan-2-ylpiperidin-3-yl)methyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide?
The InChIKey is BUOZAPDZPIOWRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29F3N4O/c1-13(2)25-9-5-6-14(11-25)10-23-17(27)12-26-16-8-4-3-7-15(16)18(24-26)19(20,21)22/h13-14H,3-12H2,1-2H3,(H,23,27).
What are the key properties of N-[(1-propan-2-ylpiperidin-3-yl)methyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide?
N-[(1-propan-2-ylpiperidin-3-yl)methyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide has a molecular weight of 386.46 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-propan-2-ylpiperidin-3-yl)methyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide is sourced from PubChem (CID 16673279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).