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Home> Encyclopedia > Hot Product Listed M   > MCULE-6095711651
618441-91-1 structure

MCULE-6095711651

Iupac Name:[1-(3-methylphenyl)-3-pyridin-3-ylpyrazol-4-yl]methanol
CAS No.:618441-91-1
Molecular Weight:265.316
Molecular Formula:C16H15N3O (isomer)
Names and Identifiers
Synonyms

(1-(3-methylphenyl)-3-(3-pyridinyl)-1h-pyrazol-4-yl)methanol (3-(pyridin-3-yl)-1-(m-tolyl)-1h-pyrazol-4-yl)methanol (3-(pyridin-3-yl)-1-m-tolyl-1h-pyrazol-4-yl)methanol [1-(3-methylphenyl)-3-(pyridin-3-yl)pyrazol-4-yl]methanol [1-(3-methylphenyl)-3-pyridin-3-ylpyrazol-4-yl]methanol AC1MVYS3 AK220479 AKOS024416362 ZINC2544760

Inchi
InChI=1S/C16H15N3O/c1-12-4-2-6-15(8-12)19-10-14(11-20)16(18-19)13-5-3-7-17-9-13/h2-10,20H,11H2,1H3
InChkey
YUYRRMMNWPNZDH-UHFFFAOYSA-N
Canonical Smiles
CC1=CC(=CC=C1)N2C=C(C(=N2)C3=CN=CC=C3)CO
Computational chemical data
  • Molecular Weight:265.316g/mol
  • Molecular Formula:C16H15N3O
  • Compound Is Canonicalized:True
  • Exact Mass:265.122
  • Monoisotopic Mass:265.122
  • Complexity:312
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:3
  • Heavy Atom Count:20
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
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