N-(3-ethoxyspiro[3.4]octan-1-yl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide

C19H26F3N3O2 — CID 127626112

IUPACN-(3-ethoxyspiro[3.4]octan-1-yl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide
SMILESCCOC1CC(NC(=O)C2CCc3[nH]nc(C(F)(F)F)c3C2)C12CCCC2
InChIInChI=1S/C19H26F3N3O2/c1-2-27-15-10-14(18(15)7-3-4-8-18)23-17(26)11-5-6-13-12(9-11)16(25-24-13)19(20,21)22/h11,14-15H,2-10H2,1H3,(H,23,26)(H,24,25)
InChIKeyDOVYSJMOWRRGMO-UHFFFAOYSA-N
MW385.43 g/mol
LogP3.39
Rot. Bonds4

About N-(3-ethoxyspiro[3.4]octan-1-yl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide

N-(3-ethoxyspiro[3.4]octan-1-yl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide (PubChem CID 127626112) has the molecular formula C19H26F3N3O2 and a molecular weight of 385.43 g/mol. Its IUPAC name is N-(3-ethoxyspiro[3.4]octan-1-yl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-ethoxyspiro[3.4]octan-1-yl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide
PubChem CID127626112
Molecular FormulaC19H26F3N3O2
Molecular Weight385.43 g/mol
Exact Mass385.20
IUPAC NameN-(3-ethoxyspiro[3.4]octan-1-yl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide
SMILESCCOC1CC(NC(=O)C2CCc3[nH]nc(C(F)(F)F)c3C2)C12CCCC2
InChIInChI=1S/C19H26F3N3O2/c1-2-27-15-10-14(18(15)7-3-4-8-18)23-17(26)11-5-6-13-12(9-11)16(25-24-13)19(20,21)22/h11,14-15H,2-10H2,1H3,(H,23,26)(H,24,25)
InChIKeyDOVYSJMOWRRGMO-UHFFFAOYSA-N
XLogP3.39
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxypropyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide
CID 109400559
N-(2-hydroxy-3-methoxypropyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide
CID 109408095
N-(1-hydroxypentan-3-yl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide
CID 109478727
N-(1-hydroxy-4-methylpentan-3-yl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide
CID 109500177
N-[4-(hydroxymethyl)cyclohexyl]-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide
CID 109618461
N-(4-hydroxy-3-methylbutan-2-yl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide
CID 109619128
N-(2-hydroxycyclohexyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide
CID 109619906
N-(1-hydroxypropan-2-yl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide
CID 109898122
N-(3-hydroxy-2-methylpropyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide
CID 109903516
N-(3-hydroxy-4-methoxybutyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide
CID 109914549
N-(1-hydroxy-4,4-dimethylpentan-2-yl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide
CID 109943953
N-(1-hydroxybutan-2-yl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide
CID 109998422

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxyspiro[3.4]octan-1-yl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide?
The IUPAC name of N-(3-ethoxyspiro[3.4]octan-1-yl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide (CID 127626112) is N-(3-ethoxyspiro[3.4]octan-1-yl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide.
What is the SMILES notation for N-(3-ethoxyspiro[3.4]octan-1-yl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide?
The canonical SMILES for N-(3-ethoxyspiro[3.4]octan-1-yl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide is CCOC1CC(NC(=O)C2CCc3[nH]nc(C(F)(F)F)c3C2)C12CCCC2.
What is the InChIKey of N-(3-ethoxyspiro[3.4]octan-1-yl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide?
The InChIKey is DOVYSJMOWRRGMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26F3N3O2/c1-2-27-15-10-14(18(15)7-3-4-8-18)23-17(26)11-5-6-13-12(9-11)16(25-24-13)19(20,21)22/h11,14-15H,2-10H2,1H3,(H,23,26)(H,24,25).
What are the key properties of N-(3-ethoxyspiro[3.4]octan-1-yl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide?
N-(3-ethoxyspiro[3.4]octan-1-yl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide has a molecular weight of 385.43 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxyspiro[3.4]octan-1-yl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide is sourced from PubChem (CID 127626112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).