3-methyl-1-(propan-2-yl)-1H-pyrazol-5-yl N,N-dimethylcarbamate

• ChemBase ID: 127915
• Molecular Formular: C10H17N3O2
• Molecular Mass: 211.26088
• Monoisotopic Mass: 211.1320768
• SMILES: O=C(Oc1cc(nn1C(C)C)C)N(C)C
• Canonical SMILES: O=C(N(C)C)Oc1cc(nn1C(C)C)C
• InChI: InChI=1S/C10H17N3O2/c1-7(2)13-9(6-8(3)11-13)15-10(14)12(4)5/h6-7H,1-5H3
• InChIKey: RNNBHZYEKNHLKT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methyl-1-(propan-2-yl)-1H-pyrazol-5-yl N,N-dimethylcarbamate
• IUPAC Traditional name: isolan
• Synonyms: Isolan; 3-Methyl-1-(1-methylethyl)-1H-pyrazol-5-yl N,N-dimethylcarbamate; Isopropylmethylpyrazolyl dimethylcarbamate

Database IDs

• CAS Number: 119-38-0
• PubChem SID: 162222232
• PubChem CID: 8393
• Chemspider ID: 8087
• Wikipedia Title: Isopropylmethylpyrazolyl_dimethylcarbamate

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.115849
• LogD (pH = 7.4): 1.116213
• Log P: 1.1162176
• Molar Refractivity: 67.5761 cm^3
• Polarizability: 21.781801 Å^3
• Polar Surface Area: 47.36 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true