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N-[cyclopropyl(3-methylpyridin-2-yl)methyl]-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide

ChemBase ID: 320233
Molecular Formular: C15H15F3N4O
Molecular Mass: 324.3010096
Monoisotopic Mass: 324.11979578
SMILES and InChIs

SMILES:
c1(cc(n[nH]1)C(F)(F)F)C(=O)NC(c1ncccc1C)C1CC1
Canonical SMILES:
O=C(c1[nH]nc(c1)C(F)(F)F)NC(c1ncccc1C)C1CC1
InChI:
InChI=1S/C15H15F3N4O/c1-8-3-2-6-19-12(8)13(9-4-5-9)20-14(23)10-7-11(22-21-10)15(16,17)18/h2-3,6-7,9,13H,4-5H2,1H3,(H,20,23)(H,21,22)
InChIKey:
QWTFMACAZOFJET-UHFFFAOYSA-N

Cite this record

CBID:320233 http://www.chembase.cn/molecule-320233.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-[cyclopropyl(3-methylpyridin-2-yl)methyl]-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
IUPAC Traditional name
N-[cyclopropyl(3-methylpyridin-2-yl)methyl]-5-(trifluoromethyl)-2H-pyrazole-3-carboxamide
Synonyms
N-[cyclopropyl(3-methylpyridin-2-yl)methyl]-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Acid pKa 8.359095  H Acceptors
H Donor LogD (pH = 5.5) 2.5827134 
LogD (pH = 7.4) 2.584939  Log P 2.6296737 
Molar Refractivity 77.8617 cm3 Polarizability 28.286999 Å3
Polar Surface Area 70.67 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.65  LOG S -1.67 
Polar Surface Area 70.67 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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