4-(4-methyl-1H-pyrazol-1-yl)pyridin-3-amine

• ChemBase ID: 242666
• Molecular Formular: C9H10N4
• Molecular Mass: 174.2025
• Monoisotopic Mass: 174.09054634
• SMILES: n1(ncc(c1)C)c1c(N)cncc1
• Canonical SMILES: Cc1cnn(c1)c1ccncc1N
• InChI: InChI=1S/C9H10N4/c1-7-4-12-13(6-7)9-2-3-11-5-8(9)10/h2-6H,10H2,1H3
• InChIKey: PKPPDVWBOZAEBR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(4-methyl-1H-pyrazol-1-yl)pyridin-3-amine
• IUPAC Traditional name: 4-(4-methylpyrazol-1-yl)pyridin-3-amine
• Synonyms: 4-(4-methyl-1H-pyrazol-1-yl)pyridin-3-amine

Database IDs

• MDL Number: MFCD12800602
• PubChem SID: 164298576
• PubChem CID: 60873088

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.4488891
• LogD (pH = 7.4): -0.04505171
• Log P: 0.5258873
• Molar Refractivity: 52.0044 cm^3
• Polarizability: 19.408201 Å^3
• Polar Surface Area: 56.73 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.114

Product Information

• Purity: 95%