3-methyl-1-propyl-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)-1H-pyrazole-4-carboxamide

• ChemBase ID: 701666
• Molecular Formular: C15H21N5O
• Molecular Mass: 287.36014
• Monoisotopic Mass: 287.17461032
• SMILES: c1(C(=O)NC2Cc3c([nH]nc3)CC2)c(nn(c1)CCC)C
• Canonical SMILES: CCCn1nc(c(c1)C(=O)NC1CCc2c(C1)cn[nH]2)C
• InChI: InChI=1S/C15H21N5O/c1-3-6-20-9-13(10(2)19-20)15(21)17-12-4-5-14-11(7-12)8-16-18-14/h8-9,12H,3-7H2,1-2H3,(H,16,18)(H,17,21)
• InChIKey: UOXRUYPOPXQJED-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methyl-1-propyl-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)-1H-pyrazole-4-carboxamide
• IUPAC Traditional name: 3-methyl-1-propyl-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)pyrazole-4-carboxamide
• Synonyms: 3-methyl-1-propyl-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)-1H-pyrazole-4-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.136082
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.1115087
• LogD (pH = 7.4): 1.111755
• Log P: 1.111759
• Molar Refractivity: 93.4679 cm^3
• Polarizability: 30.235447 Å^3
• Polar Surface Area: 75.6 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 1.67
• LOG S: -2.72
• Polar Surface Area: 75.6 Å^2
• Rotatable Bonds: 4