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N-cyclopentyl-N-[(2,5-dimethoxyphenyl)methyl]-3-methyl-1H-pyrazole-5-carboxamide

ChemBase ID: 865601
Molecular Formular: C19H25N3O3
Molecular Mass: 343.4201
Monoisotopic Mass: 343.18959168
SMILES and InChIs

SMILES:
c1(C(=O)N(Cc2c(ccc(c2)OC)OC)C2CCCC2)[nH]nc(c1)C
Canonical SMILES:
COc1ccc(cc1CN(C(=O)c1[nH]nc(c1)C)C1CCCC1)OC
InChI:
InChI=1S/C19H25N3O3/c1-13-10-17(21-20-13)19(23)22(15-6-4-5-7-15)12-14-11-16(24-2)8-9-18(14)25-3/h8-11,15H,4-7,12H2,1-3H3,(H,20,21)
InChIKey:
XZZOZVPOXFSRQS-UHFFFAOYSA-N

Cite this record

CBID:865601 http://www.chembase.cn/molecule-865601.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-cyclopentyl-N-[(2,5-dimethoxyphenyl)methyl]-3-methyl-1H-pyrazole-5-carboxamide
IUPAC Traditional name
N-cyclopentyl-N-[(2,5-dimethoxyphenyl)methyl]-5-methyl-2H-pyrazole-3-carboxamide
Synonyms
N-cyclopentyl-N-(2,5-dimethoxybenzyl)-3-methyl-1H-pyrazole-5-carboxamide

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 66705988 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 9.838633  H Acceptors
H Donor LogD (pH = 5.5) 2.390444 
LogD (pH = 7.4) 2.3890836  Log P 2.390626 
Molar Refractivity 97.0384 cm3 Polarizability 36.694115 Å3
Polar Surface Area 67.45 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 3.28  LOG S -4.5 
Polar Surface Area 67.45 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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