4-(2-Ethoxybenzamido)-1-methyl-3-propylpyrazole-5-carboxamide

HCID 850135

Basic information

CAS
139756-03-9
Standard SMILES
CCCc1nn(C)c(C(N)=O)c1NC(=O)c1ccccc1OCC
InChIKey
UAFIHVRUICMADE-UHFFFAOYSA-N
Molecular formula
C17H22N4O3
Average molar mass
330.4 g/mol
Monoisotopic mass
330.16919056

Names & identifiers

Preferred name
4-(2-Ethoxybenzamido)-1-methyl-3-propylpyrazole-5-carboxamide
IUPAC
4-[(2-ethoxybenzoyl)amino]-1-methyl-3-propylpyrazole-5-carboxamide
English name
4-(2-Ethoxy benzamido)-1-methyl-3-n-propyl pyrazole-5-carboxamide.
Molecular formula
C17H22N4O3
Molecular weight
330.38

Names & synonyms

139756-03-9Sildenafil di-amide impuritySildenafil carboxamide impurity8M7KI0WTIA4-(2-Ethoxybenzamido)-1-methyl-3-propylpyrazole-5-carboxamide1H-Pyrazole-5-carboxamide, 4-((2-ethoxybenzoyl)amino)-1-methyl-3-propyl-4-((2-Ethoxybenzoyl)amino)-1-methyl-3-propyl-1H-pyrazole-5-carboxamide4-[(2-ethoxybenzoyl)amino]-1-methyl-3-propyl-1H-pyrazole-5-carboxamide1H-Pyrazole-5-carboxamide, 4-[(2-ethoxybenzoyl)amino]-1-methyl-3-propyl-RefChem:10698214-(2-ethoxybenzamido)-1-methyl-3-propyl-1H-pyrazole-5-carboxamide4-(2-Ethoxybenzamido)-1-methyl-3-n-propylpyrazole-5-carboxamide
Show more names
4-[(2-Ethoxybenzoyl)aMino]-1-Methyl-3-propyl-4-(2-Ethoxybenzaini do) -1 -methyl-3-n-pro pylpyrazole-5-carboxaniide7-chloro-5-(2-ethoxyphenyl)-1-methyl-3-propyl-1H-pyrazolo[4,3-d]pyrimidine
UNII-8M7KI0WTIA4-[(2-ethoxybenzoyl)amino]-2-methyl-5-propylpyrazole-3-carboxamide4-(2-Ethoxybenzoylamino)-1-methyl-3-propyl-1H-pyrazole-5-carboxamide4-(2-ETHOXY BENZAMIDO)-1-METHYL-3-N-PROPYL PYRAZOLE-5-CARBOXAMIDE.Sildenafil Impurity 111H-Pyrazole-5-carboxamide, 4-[(2-ethoxybenzoyl)amino]-1-methyl-3-propyl-; 4-[(2-Ethoxybenzoyl)amino]-1-methyl-3-propyl-1H-pyrazole-5-carboxamide; 4-(2-Ethoxybenzamido)-1-methyl-3-propylpyrazole-5-carboxamide; 4-(2-Ethoxybenzoylamino)-1-methyl-3-propyl-1H-pyrazole-5-carboxamideSCHEMBL1792Oprea1_191426

Database identifiers

CAS
139756-03-9
PubChem CID
850135
DTXSID
DTXSID40357308
UNII
8M7KI0WTIA
Nikkaji
J1.557.987K

Properties

Computed structural properties

XLogP
2.4
Topological polar surface area
99.2 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
7
Heavy atoms
24

Physicochemical properties

Melting point
153 · 153-155 °C
Boiling point
445.5 · 445.5±45.0 °C(Predicted)
Density
1.24 · 1.24±0.1 g/cm3(Predicted)
storage temp.
Refrigerator
solubility
DMSO (Slightly), Methanol (Slightly)
form
Solid

Chemistry & industry

Applications

UsesAn impurity of Sildenafil (S435000) (impurity C).

Upstream & downstream products

Downstream products

Suppliers61 total

上海策嵘生物科技有限公司[email protected]
济南百隆化学有限公司[email protected] · [email protected]
艾吉析科技(上海)有限公司17717235263 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
广州佳途科技股份有限公司81960175 18933936954 · [email protected]

Related reactions

14 records

Compound notes

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