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N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[4-(furan-2-yl)pyrimidin-2-yl]-5-(methoxymethyl)-1H-pyrazole-4-carboxamide

ChemBase ID: 320825
Molecular Formular: C24H25N5O5
Molecular Mass: 463.4858
Monoisotopic Mass: 463.18556893
SMILES and InChIs

SMILES:
n1(c(c(cn1)C(=O)NCCc1cc(c(cc1)OC)OC)COC)c1nc(c2occc2)ccn1
Canonical SMILES:
COCc1c(cnn1c1nccc(n1)c1ccco1)C(=O)NCCc1ccc(c(c1)OC)OC
InChI:
InChI=1S/C24H25N5O5/c1-31-15-19-17(23(30)25-10-8-16-6-7-21(32-2)22(13-16)33-3)14-27-29(19)24-26-11-9-18(28-24)20-5-4-12-34-20/h4-7,9,11-14H,8,10,15H2,1-3H3,(H,25,30)
InChIKey:
ZPIVKJRBSCVJPR-UHFFFAOYSA-N

Cite this record

CBID:320825 http://www.chembase.cn/molecule-320825.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[4-(furan-2-yl)pyrimidin-2-yl]-5-(methoxymethyl)-1H-pyrazole-4-carboxamide
IUPAC Traditional name
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[4-(furan-2-yl)pyrimidin-2-yl]-5-(methoxymethyl)pyrazole-4-carboxamide
Synonyms
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[4-(2-furyl)-2-pyrimidinyl]-5-(methoxymethyl)-1H-pyrazole-4-carboxamide

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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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 13.037764  H Acceptors
H Donor LogD (pH = 5.5) 2.4755468 
LogD (pH = 7.4) 2.4755473  Log P 2.4755483 
Molar Refractivity 125.8988 cm3 Polarizability 48.3277 Å3
Polar Surface Area 113.53 Å2 Rotatable Bonds 10 
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.25  LOG S -5.44 
Polar Surface Area 113.53 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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