N-ethyl-N-(2-hydroxyethyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide

C13H18F3N3O2 — CID 109468101

IUPACN-ethyl-N-(2-hydroxyethyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide
SMILESCCN(CCO)C(=O)C1CCc2[nH]nc(C(F)(F)F)c2C1
InChIInChI=1S/C13H18F3N3O2/c1-2-19(5-6-20)12(21)8-3-4-10-9(7-8)11(18-17-10)13(14,15)16/h8,20H,2-7H2,1H3,(H,17,18)
InChIKeyJVMVZPLXIMLGLA-UHFFFAOYSA-N
MW305.30 g/mol
LogP1.37
Rot. Bonds4

About N-ethyl-N-(2-hydroxyethyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide

N-ethyl-N-(2-hydroxyethyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide (PubChem CID 109468101) has the molecular formula C13H18F3N3O2 and a molecular weight of 305.30 g/mol. Its IUPAC name is N-ethyl-N-(2-hydroxyethyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(2-hydroxyethyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide
PubChem CID109468101
Molecular FormulaC13H18F3N3O2
Molecular Weight305.30 g/mol
Exact Mass305.14
IUPAC NameN-ethyl-N-(2-hydroxyethyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide
SMILESCCN(CCO)C(=O)C1CCc2[nH]nc(C(F)(F)F)c2C1
InChIInChI=1S/C13H18F3N3O2/c1-2-19(5-6-20)12(21)8-3-4-10-9(7-8)11(18-17-10)13(14,15)16/h8,20H,2-7H2,1H3,(H,17,18)
InChIKeyJVMVZPLXIMLGLA-UHFFFAOYSA-N
XLogP1.37
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-1-[2-(trifluoromethyl)morpholin-4-yl]propan-1-one
CID 56868121
[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
N-methoxy-N-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide
CID 102560449
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-butyl-N-(2-hydroxyethyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide
CID 109616671
N-[4-(hydroxymethyl)cyclohexyl]-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide
CID 109618461

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-hydroxyethyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide?
The IUPAC name of N-ethyl-N-(2-hydroxyethyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide (CID 109468101) is N-ethyl-N-(2-hydroxyethyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide.
What is the SMILES notation for N-ethyl-N-(2-hydroxyethyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide?
The canonical SMILES for N-ethyl-N-(2-hydroxyethyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide is CCN(CCO)C(=O)C1CCc2[nH]nc(C(F)(F)F)c2C1.
What is the InChIKey of N-ethyl-N-(2-hydroxyethyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide?
The InChIKey is JVMVZPLXIMLGLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3O2/c1-2-19(5-6-20)12(21)8-3-4-10-9(7-8)11(18-17-10)13(14,15)16/h8,20H,2-7H2,1H3,(H,17,18).
What are the key properties of N-ethyl-N-(2-hydroxyethyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide?
N-ethyl-N-(2-hydroxyethyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide has a molecular weight of 305.30 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-hydroxyethyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide is sourced from PubChem (CID 109468101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).