4-methyl-1-(1-methylpiperidin-4-yl)-1H-pyrazol-5-amine

• ChemBase ID: 31044
• Molecular Formular: C10H18N4
• Molecular Mass: 194.27672
• Monoisotopic Mass: 194.1531466
• SMILES: n1(c(c(cn1)C)N)C1CCN(CC1)C
• Canonical SMILES: CN1CCC(CC1)n1ncc(c1N)C
• InChI: InChI=1S/C10H18N4/c1-8-7-12-14(10(8)11)9-3-5-13(2)6-4-9/h7,9H,3-6,11H2,1-2H3
• InChIKey: ZXGHLPMDSDKGPG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methyl-1-(1-methylpiperidin-4-yl)-1H-pyrazol-5-amine
• IUPAC Traditional name: 4-methyl-2-(1-methylpiperidin-4-yl)pyrazol-3-amine
• Synonyms: 4-Methyl-2-(1-methyl-piperidin-4-yl)-2H-pyrazol-3-ylamine

Database IDs

• MDL Number: MFCD06589857
• PubChem SID: 160994351
• PubChem CID: 645994

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.893397
• LogD (pH = 7.4): -1.2193502
• Log P: 0.20169844
• Molar Refractivity: 69.4074 cm^3
• Polarizability: 21.799269 Å^3
• Polar Surface Area: 47.08 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false