N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-1H-indazole-7-carboxamide

C18H16F3N3O2 — CID 46576739

IUPACN-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-1H-indazole-7-carboxamide
SMILESO=C(NCc1ccc(COCC(F)(F)F)cc1)c1cccc2cn[nH]c12
InChIInChI=1S/C18H16F3N3O2/c19-18(20,21)11-26-10-13-6-4-12(5-7-13)8-22-17(25)15-3-1-2-14-9-23-24-16(14)15/h1-7,9H,8,10-11H2,(H,22,25)(H,23,24)
InChIKeyXPBZHLWCCZUTLY-UHFFFAOYSA-N
MW363.34 g/mol
LogP3.57
Rot. Bonds6

About N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-1H-indazole-7-carboxamide

N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-1H-indazole-7-carboxamide (PubChem CID 46576739) has the molecular formula C18H16F3N3O2 and a molecular weight of 363.34 g/mol. Its IUPAC name is N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-1H-indazole-7-carboxamide.

Molecular Properties

Compound NameN-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-1H-indazole-7-carboxamide
PubChem CID46576739
Molecular FormulaC18H16F3N3O2
Molecular Weight363.34 g/mol
Exact Mass363.12
IUPAC NameN-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-1H-indazole-7-carboxamide
SMILESO=C(NCc1ccc(COCC(F)(F)F)cc1)c1cccc2cn[nH]c12
InChIInChI=1S/C18H16F3N3O2/c19-18(20,21)11-26-10-13-6-4-12(5-7-13)8-22-17(25)15-3-1-2-14-9-23-24-16(14)15/h1-7,9H,8,10-11H2,(H,22,25)(H,23,24)
InChIKeyXPBZHLWCCZUTLY-UHFFFAOYSA-N
XLogP3.57
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.34
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(difluoromethoxy)phenyl]methyl]-1H-indazole-7-carboxamide
CID 43048623
N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]quinoline-5-carboxamide
CID 26063547
2-oxo-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-1H-pyridine-3-carboxamide
CID 24599022
1-(3-chlorophenyl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 33103491
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1H-indazole-7-carboxamide
CID 46551555
N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]-1H-indazole-7-carboxamide
CID 47057863
N-[(2-phenylmethoxy-3-pyridinyl)methyl]-1H-indazole-7-carboxamide
CID 47057730
1-(4-methylphenyl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 30767998
2-morpholin-4-yl-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]pyridine-3-carboxamide
CID 30357957
2-N,2-N,6-trimethyl-5-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]pyridine-2,5-dicarboxamide
CID 86890232
1-benzyl-3-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]urea
CID 24664664
N-[[3-(phenylcarbamoyl)phenyl]methyl]-1H-indazole-7-carboxamide
CID 47036742

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-1H-indazole-7-carboxamide?
The IUPAC name of N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-1H-indazole-7-carboxamide (CID 46576739) is N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-1H-indazole-7-carboxamide.
What is the SMILES notation for N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-1H-indazole-7-carboxamide?
The canonical SMILES for N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-1H-indazole-7-carboxamide is O=C(NCc1ccc(COCC(F)(F)F)cc1)c1cccc2cn[nH]c12.
What is the InChIKey of N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-1H-indazole-7-carboxamide?
The InChIKey is XPBZHLWCCZUTLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N3O2/c19-18(20,21)11-26-10-13-6-4-12(5-7-13)8-22-17(25)15-3-1-2-14-9-23-24-16(14)15/h1-7,9H,8,10-11H2,(H,22,25)(H,23,24).
What are the key properties of N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-1H-indazole-7-carboxamide?
N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-1H-indazole-7-carboxamide has a molecular weight of 363.34 g/mol, XLogP of 3.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-1H-indazole-7-carboxamide is sourced from PubChem (CID 46576739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).