N-methoxy-N-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide

C11H14F3N3O2 — CID 102560449

IUPACN-methoxy-N-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide
SMILESCON(C)C(=O)C1CCc2[nH]nc(C(F)(F)F)c2C1
InChIInChI=1S/C11H14F3N3O2/c1-17(19-2)10(18)6-3-4-8-7(5-6)9(16-15-8)11(12,13)14/h6H,3-5H2,1-2H3,(H,15,16)
InChIKeyJZPDVGLQCRTWKP-UHFFFAOYSA-N
MW277.25 g/mol
LogP1.55
Rot. Bonds2

About N-methoxy-N-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide

N-methoxy-N-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide (PubChem CID 102560449) has the molecular formula C11H14F3N3O2 and a molecular weight of 277.25 g/mol. Its IUPAC name is N-methoxy-N-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-methoxy-N-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide
PubChem CID102560449
Molecular FormulaC11H14F3N3O2
Molecular Weight277.25 g/mol
Exact Mass277.10
IUPAC NameN-methoxy-N-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide
SMILESCON(C)C(=O)C1CCc2[nH]nc(C(F)(F)F)c2C1
InChIInChI=1S/C11H14F3N3O2/c1-17(19-2)10(18)6-3-4-8-7(5-6)9(16-15-8)11(12,13)14/h6H,3-5H2,1-2H3,(H,15,16)
InChIKeyJZPDVGLQCRTWKP-UHFFFAOYSA-N
XLogP1.55
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[3-[[ethyl(methyl)amino]methyl]pyrrolidin-1-yl]-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-5-yl]methanone
CID 71912356
3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-N-(2,2,2-trifluoroethyl)propanamide
CID 72924756
[(3S)-3-[[ethyl(methyl)amino]methyl]pyrrolidin-1-yl]-[(5R)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-5-yl]methanone
CID 97099163
[(3R)-3-[[ethyl(methyl)amino]methyl]pyrrolidin-1-yl]-[(5R)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-5-yl]methanone
CID 97099164
methyl (R)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxylate
CID 99991543
methyl (5S)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxylate
CID 99991545
methyl 3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxylate
CID 102568417
N-(2-hydroxypropyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide
CID 109400559
N-ethyl-N-(2-hydroxyethyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide
CID 109468101
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-butyl-N-(2-hydroxyethyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide
CID 109616671

Frequently Asked Questions

What is the IUPAC name of N-methoxy-N-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide?
The IUPAC name of N-methoxy-N-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide (CID 102560449) is N-methoxy-N-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide.
What is the SMILES notation for N-methoxy-N-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide?
The canonical SMILES for N-methoxy-N-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide is CON(C)C(=O)C1CCc2[nH]nc(C(F)(F)F)c2C1.
What is the InChIKey of N-methoxy-N-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide?
The InChIKey is JZPDVGLQCRTWKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O2/c1-17(19-2)10(18)6-3-4-8-7(5-6)9(16-15-8)11(12,13)14/h6H,3-5H2,1-2H3,(H,15,16).
What are the key properties of N-methoxy-N-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide?
N-methoxy-N-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide has a molecular weight of 277.25 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide is sourced from PubChem (CID 102560449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).