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3-(3,5-dimethyl-1H-pyrazol-1-yl)-N-[1-phenyl-3-(propan-2-yl)-1H-pyrazol-5-yl]azetidine-1-carboxamide

ChemBase ID: 470181
Molecular Formular: C21H26N6O
Molecular Mass: 378.47074
Monoisotopic Mass: 378.21680948
SMILES and InChIs

SMILES:
c1(n(nc(c1)C(C)C)c1ccccc1)NC(=O)N1CC(n2nc(cc2C)C)C1
Canonical SMILES:
O=C(N1CC(C1)n1nc(cc1C)C)Nc1cc(nn1c1ccccc1)C(C)C
InChI:
InChI=1S/C21H26N6O/c1-14(2)19-11-20(27(24-19)17-8-6-5-7-9-17)22-21(28)25-12-18(13-25)26-16(4)10-15(3)23-26/h5-11,14,18H,12-13H2,1-4H3,(H,22,28)
InChIKey:
OUEZPHQSOQJBJO-UHFFFAOYSA-N

Cite this record

CBID:470181 http://www.chembase.cn/molecule-470181.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-(3,5-dimethyl-1H-pyrazol-1-yl)-N-[1-phenyl-3-(propan-2-yl)-1H-pyrazol-5-yl]azetidine-1-carboxamide
IUPAC Traditional name
3-(3,5-dimethylpyrazol-1-yl)-N-(5-isopropyl-2-phenylpyrazol-3-yl)azetidine-1-carboxamide
Synonyms
3-(3,5-dimethyl-1H-pyrazol-1-yl)-N-(3-isopropyl-1-phenyl-1H-pyrazol-5-yl)azetidine-1-carboxamide

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 33911546 external link Add to cart
Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Acid pKa 12.901179  H Acceptors
H Donor LogD (pH = 5.5) 3.320683 
LogD (pH = 7.4) 3.323482  Log P 3.3235192 
Molar Refractivity 121.2338 cm3 Polarizability 41.744675 Å3
Polar Surface Area 67.98 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 3.4  LOG S -4.86 
Polar Surface Area 67.98 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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