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

C14H12F3N3O — CID 99642803

IUPACN-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide
SMILESO=C(N[C@@H]1CCc2ccccc21)c1cn[nH]c1C(F)(F)F
InChIInChI=1S/C14H12F3N3O/c15-14(16,17)12-10(7-18-20-12)13(21)19-11-6-5-8-3-1-2-4-9(8)11/h1-4,7,11H,5-6H2,(H,18,20)(H,19,21)/t11-/m1/s1
InChIKeyRKKFDKVQTQZMPJ-LLVKDONJSA-N
MW295.26 g/mol
LogP2.85
Rot. Bonds2

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

N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide (PubChem CID 99642803) has the molecular formula C14H12F3N3O and a molecular weight of 295.26 g/mol. Its IUPAC name is N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide
PubChem CID99642803
Molecular FormulaC14H12F3N3O
Molecular Weight295.26 g/mol
Exact Mass295.09
IUPAC NameN-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide
SMILESO=C(N[C@@H]1CCc2ccccc21)c1cn[nH]c1C(F)(F)F
InChIInChI=1S/C14H12F3N3O/c15-14(16,17)12-10(7-18-20-12)13(21)19-11-6-5-8-3-1-2-4-9(8)11/h1-4,7,11H,5-6H2,(H,18,20)(H,19,21)/t11-/m1/s1
InChIKeyRKKFDKVQTQZMPJ-LLVKDONJSA-N
XLogP2.85
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.26
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1,2,3,4-tetrahydronaphthalen-2-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 102555552
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]-1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 95159617
N-(2,3-dihydro-1H-inden-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464359
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-hydroxybenzamide
CID 141027232
N-(2,3-dihydro-1H-inden-1-yl)-3-fluoropyridine-4-carboxamide
CID 115645626
N-(2,3-dihydro-1H-inden-1-yl)-5-(3,4-dimethoxyphenyl)-1H-pyrazole-4-carboxamide
CID 71824293
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
4-chloro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyrazole-5-carboxamide
CID 45153833
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-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide (CID 99642803) is N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide is O=C(N[C@@H]1CCc2ccccc21)c1cn[nH]c1C(F)(F)F.
What is the InChIKey of N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide?
The InChIKey is RKKFDKVQTQZMPJ-LLVKDONJSA-N. The full InChI is InChI=1S/C14H12F3N3O/c15-14(16,17)12-10(7-18-20-12)13(21)19-11-6-5-8-3-1-2-4-9(8)11/h1-4,7,11H,5-6H2,(H,18,20)(H,19,21)/t11-/m1/s1.
What are the key properties of N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide?
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide has a molecular weight of 295.26 g/mol, XLogP of 2.85, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 99642803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).