N-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide

C17H18F3N3O — CID 95159617

IUPACN-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCC(C)n1ncc(C(=O)N[C@H]2CCc3ccccc32)c1C(F)(F)F
InChIInChI=1S/C17H18F3N3O/c1-10(2)23-15(17(18,19)20)13(9-21-23)16(24)22-14-8-7-11-5-3-4-6-12(11)14/h3-6,9-10,14H,7-8H2,1-2H3,(H,22,24)/t14-/m0/s1
InChIKeyBAWDWGIVQXWFKN-AWEZNQCLSA-N
MW337.35 g/mol
LogP3.90
Rot. Bonds3

About N-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide

N-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 95159617) has the molecular formula C17H18F3N3O and a molecular weight of 337.35 g/mol. Its IUPAC name is N-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID95159617
Molecular FormulaC17H18F3N3O
Molecular Weight337.35 g/mol
Exact Mass337.14
IUPAC NameN-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCC(C)n1ncc(C(=O)N[C@H]2CCc3ccccc32)c1C(F)(F)F
InChIInChI=1S/C17H18F3N3O/c1-10(2)23-15(17(18,19)20)13(9-21-23)16(24)22-14-8-7-11-5-3-4-6-12(11)14/h3-6,9-10,14H,7-8H2,1-2H3,(H,22,24)/t14-/m0/s1
InChIKeyBAWDWGIVQXWFKN-AWEZNQCLSA-N
XLogP3.90
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 99642803
6-cyclopropyl-1-propan-2-yl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 9466126
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 26246644
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-hydroxybenzamide
CID 141027232
1-benzyl-N-(2,3-dihydro-1H-inden-1-yl)-5-ethylpyrazole-4-carboxamide
CID 78873081
N-(2,3-dihydro-1H-inden-1-yl)-3-fluoropyridine-4-carboxamide
CID 115645626
N-(2,3-dihydro-1H-inden-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464359
2-chloro-N-[(1S)-2,3-dihydro-1H-inden-1-yl]benzamide
CID 26288569
2-chloro-N-[(1R)-2,3-dihydro-1H-inden-1-yl]benzamide
CID 26288568
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2,2,2-trifluoroacetamide
CID 14511478
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-(4-methylphenyl)-1H-pyrazole-4-carboxamide
CID 95795147
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 95976369

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of N-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 95159617) is N-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide is CC(C)n1ncc(C(=O)N[C@H]2CCc3ccccc32)c1C(F)(F)F.
What is the InChIKey of N-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is BAWDWGIVQXWFKN-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H18F3N3O/c1-10(2)23-15(17(18,19)20)13(9-21-23)16(24)22-14-8-7-11-5-3-4-6-12(11)14/h3-6,9-10,14H,7-8H2,1-2H3,(H,22,24)/t14-/m0/s1.
What are the key properties of N-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide?
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 337.35 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 95159617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).