N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-4-(trifluoromethoxy)benzamide

C17H18F3N3O2 — CID 71808341

IUPACN-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-4-(trifluoromethoxy)benzamide
SMILESCn1nc(CNC(=O)c2ccc(OC(F)(F)F)cc2)c2c1CCCC2
InChIInChI=1S/C17H18F3N3O2/c1-23-15-5-3-2-4-13(15)14(22-23)10-21-16(24)11-6-8-12(9-7-11)25-17(18,19)20/h6-9H,2-5,10H2,1H3,(H,21,24)
InChIKeyLCNLAXOVAQCCNU-UHFFFAOYSA-N
MW353.34 g/mol
LogP3.13
Rot. Bonds4

About N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-4-(trifluoromethoxy)benzamide

N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-4-(trifluoromethoxy)benzamide (PubChem CID 71808341) has the molecular formula C17H18F3N3O2 and a molecular weight of 353.34 g/mol. Its IUPAC name is N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-4-(trifluoromethoxy)benzamide
PubChem CID71808341
Molecular FormulaC17H18F3N3O2
Molecular Weight353.34 g/mol
Exact Mass353.14
IUPAC NameN-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-4-(trifluoromethoxy)benzamide
SMILESCn1nc(CNC(=O)c2ccc(OC(F)(F)F)cc2)c2c1CCCC2
InChIInChI=1S/C17H18F3N3O2/c1-23-15-5-3-2-4-13(15)14(22-23)10-21-16(24)11-6-8-12(9-7-11)25-17(18,19)20/h6-9H,2-5,10H2,1H3,(H,21,24)
InChIKeyLCNLAXOVAQCCNU-UHFFFAOYSA-N
XLogP3.13
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.34
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-5-(4-methoxybenzyl)-4-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 3780243
N-(4-methoxybenzyl)-3-methyl-1-phenyl-1H-pyrazole-5-carboxamide
CID 5015296
N-(2-(4-ethoxybenzamido)ethyl)-1-phenyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 11857040
1-Cyclohexyl-N-(2-{[(4-ethoxyphenyl)carbonyl]amino}-ethyl)-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 46884916
1-Benzyl-N-(2-{[(4-ethoxyphenyl)carbonyl]amino}-ethyl)-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 46884917
N-hydroxy-5-(4-methoxybenzoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
CID 58465646
3-methyl-2-[1-[[4-(trifluoromethoxy)phenyl]methyl]pyrazol-3-yl]-1H-quinolin-4-one
CID 67607762
3-ethoxy-2-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]indazole-6-carboxamide
CID 11958687
2-butyl-3-methoxy-N-[[4-(trifluoromethoxy)phenyl]methyl]indazole-6-carboxamide
CID 11958829
2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5(4H)-yl]-N-(4-methoxybenzyl)acetamide
CID 16028260
2-[2-(4-Methoxyphenyl)-4-oxo-4H,5H-pyrazolo[1,5-D][1,2,4]triazin-5-YL]-N-(3-phenylpropyl)acetamide
CID 20953567
N-[(4-fluorophenyl)methyl]-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
CID 22513150

Frequently Asked Questions

What is the IUPAC name of N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-4-(trifluoromethoxy)benzamide?
The IUPAC name of N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-4-(trifluoromethoxy)benzamide (CID 71808341) is N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-4-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-4-(trifluoromethoxy)benzamide is Cn1nc(CNC(=O)c2ccc(OC(F)(F)F)cc2)c2c1CCCC2.
What is the InChIKey of N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-4-(trifluoromethoxy)benzamide?
The InChIKey is LCNLAXOVAQCCNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O2/c1-23-15-5-3-2-4-13(15)14(22-23)10-21-16(24)11-6-8-12(9-7-11)25-17(18,19)20/h6-9H,2-5,10H2,1H3,(H,21,24).
What are the key properties of N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-4-(trifluoromethoxy)benzamide?
N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-4-(trifluoromethoxy)benzamide has a molecular weight of 353.34 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 71808341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).