4-amino-1-isopropyl-N-(tetrahydrofuran-2-ylmethyl)-1H-pyrazole-5-carboxamide

: CAS No.: 2101198-30-3; Molecular Weight：252.31; Modify Date.: 2022-07-12 12:49

1. Names and Identifiers

: 1.1 Name; 4-amino-1-isopropyl-N-(tetrahydrofuran-2-ylmethyl)-1H-pyrazole-5-carboxamide; 1.2 Synonyms; 1H-Pyrazole-5-carboxamide, 4-amino-1-(1-methylethyl)-N-[(tetrahydro-2-furanyl)methyl]-

1.6 Inchi: InChI=1S/C12H20N4O2/c1-8(2)16-11(10(13)7-15-16)12(17)14-6-9-4-3-5-18-9/h7-9H,3-6,13H2,1-2H3,(H,14,17)

2. Properties

3. Computational chemical data

Molecular Weight: 252.31g/mol
Molecular Formula: C₁₂H₂₀N₄O₂
Compound Is Canonicalized: True
XLogP3-AA: 0.8
Exact Mass: 252.15862589
Monoisotopic Mass: 252.15862589
Complexity: 298
Rotatable Bond Count: 4
Hydrogen Bond Donor Count: 2
Hydrogen Bond Acceptor Count: 4
Topological Polar Surface Area: 82.2
Heavy Atom Count: 18
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count: 1
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Isotope Atom Count: 0
Covalently-Bonded Unit Count: 1
CACTVS Substructure Key Fingerprint: AAADceBzsAAAAAAAAAAAAAAAAAAAAWJAAAAAAAAAAAAAAAABgAAAHgAYAAAACDzhlgYuwJLIBACqARV3VACQBAAnkgAQWKGodFgCYJpAxOEXhYhEHgDQQUCUEAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

5. Realated Product Infomation

21254-24-0 5-AMINO-1-ISOPROPYL-1H-PYRAZOLE-4-CARBOXAMIDE

90322-18-2 3-[(TETRAHYDROFURAN-2-YLMETHYL)AMINO]PROPANENITRILE

852216-14-9 5-Nitro-2-[(tetrahydrofuran-2-ylmethyl)amino]benzonitrile

7179-93-3 N-METHYL-(TETRAHYDROFURAN-3-YLMETHYL)AMINE

892592-66-4 (TETRAHYDROFURAN-2-YLMETHYL)(3-THIENYLMETHYL)AMINE

97421-16-4 4-AMINO-1-ISOPROPYL-1H-PYRAZOLE

436096-82-1 (4-ISOPROPYL-BENZYL)(TETRAHYDROFURAN-2-YL-METHYL)AMINE

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