5-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)-1H-pyrazole-3-carboxamide

• ChemBase ID: 641164
• Molecular Formular: C19H25N7O
• Molecular Mass: 367.4481
• Monoisotopic Mass: 367.21205846
• SMILES: c1(n[nH]c(c1)Cn1nc(cc1C)C)C(=O)N(Cc1n[nH]c2c1CCCC2)C
• Canonical SMILES: Cc1nn(c(c1)C)Cc1[nH]nc(c1)C(=O)N(Cc1n[nH]c2c1CCCC2)C
• InChI: InChI=1S/C19H25N7O/c1-12-8-13(2)26(24-12)10-14-9-17(22-20-14)19(27)25(3)11-18-15-6-4-5-7-16(15)21-23-18/h8-9H,4-7,10-11H2,1-3H3,(H,20,22)(H,21,23)
• InChIKey: ZZSOWGDSODRMGW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)-1H-pyrazole-3-carboxamide
• IUPAC Traditional name: 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)-1H-pyrazole-3-carboxamide
• Synonyms: 5-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)-1H-pyrazole-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.114913
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.6881083
• LogD (pH = 7.4): 1.6828914
• Log P: 1.6910152
• Molar Refractivity: 116.6714 cm^3
• Polarizability: 38.257786 Å^3
• Polar Surface Area: 95.49 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 1.16
• LOG S: -5.88
• Polar Surface Area: 95.49 Å^2
• Rotatable Bonds: 5