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N-{1-[1-(3-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]ethyl}-3-methyl-1-propyl-1H-pyrazole-4-carboxamide

ChemBase ID: 360111
Molecular Formular: C20H24FN5O
Molecular Mass: 369.4358632
Monoisotopic Mass: 369.19648863
SMILES and InChIs

SMILES:
c1(C(=O)NC(c2c(n(nc2)c2cc(F)ccc2)C)C)c(nn(c1)CCC)C
Canonical SMILES:
CCCn1nc(c(c1)C(=O)NC(c1cnn(c1C)c1cccc(c1)F)C)C
InChI:
InChI=1S/C20H24FN5O/c1-5-9-25-12-19(14(3)24-25)20(27)23-13(2)18-11-22-26(15(18)4)17-8-6-7-16(21)10-17/h6-8,10-13H,5,9H2,1-4H3,(H,23,27)
InChIKey:
RYXAZSDFXFRXOB-UHFFFAOYSA-N

Cite this record

CBID:360111 http://www.chembase.cn/molecule-360111.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-{1-[1-(3-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]ethyl}-3-methyl-1-propyl-1H-pyrazole-4-carboxamide
IUPAC Traditional name
N-{1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]ethyl}-3-methyl-1-propylpyrazole-4-carboxamide
Synonyms
N-{1-[1-(3-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]ethyl}-3-methyl-1-propyl-1H-pyrazole-4-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 13.485298  H Acceptors
H Donor LogD (pH = 5.5) 3.0550234 
LogD (pH = 7.4) 3.0552495  Log P 3.0552526 
Molar Refractivity 115.5598 cm3 Polarizability 38.958305 Å3
Polar Surface Area 64.74 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 3.59  LOG S -4.96 
Polar Surface Area 64.74 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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