diethyl({[3-(2-propylpyrrolidine-1-carbonyl)pyrazolo[1,5-a]pyrimidin-6-yl]methyl})amine

• ChemBase ID: 444556
• Molecular Formular: C19H29N5O
• Molecular Mass: 343.46646
• Monoisotopic Mass: 343.23721057
• SMILES: c1(c2n(nc1)cc(cn2)CN(CC)CC)C(=O)N1C(CCC1)CCC
• Canonical SMILES: CCCC1CCCN1C(=O)c1cnn2c1ncc(c2)CN(CC)CC
• InChI: InChI=1S/C19H29N5O/c1-4-8-16-9-7-10-23(16)19(25)17-12-21-24-14-15(11-20-18(17)24)13-22(5-2)6-3/h11-12,14,16H,4-10,13H2,1-3H3
• InChIKey: ZGMUBTZROSVPKX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: diethyl({[3-(2-propylpyrrolidine-1-carbonyl)pyrazolo[1,5-a]pyrimidin-6-yl]methyl})amine
• IUPAC Traditional name: diethyl({[3-(2-propylpyrrolidine-1-carbonyl)pyrazolo[1,5-a]pyrimidin-6-yl]methyl})amine
• Synonyms: N-ethyl-N-({3-[(2-propylpyrrolidin-1-yl)carbonyl]pyrazolo[1,5-a]pyrimidin-6-yl}methyl)ethanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.42915642
• LogD (pH = 7.4): 1.3312716
• Log P: 2.3954413
• Molar Refractivity: 111.7701 cm^3
• Polarizability: 38.12096 Å^3
• Polar Surface Area: 53.74 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.58
• LOG S: -2.2
• Polar Surface Area: 53.74 Å^2
• Rotatable Bonds: 7