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Home> Encyclopedia > Hot Product Listed M   > MCULE-5150446901
618383-39-4 structure

MCULE-5150446901

Iupac Name:[1-(4-methoxyphenyl)-3-pyridin-3-ylpyrazol-4-yl]methanol
CAS No.:618383-39-4
Molecular Weight:281.315
Molecular Formula:C16H15N3O2 (isomer)
Names and Identifiers
Synonyms

(1-(4-methoxyphenyl)-3-(pyridin-3-yl)-1h-pyrazol-4-yl)methanol [1-(4-methoxyphenyl)-3-(3-pyridinyl)-1h-pyrazol-4-yl]methanol [1-(4-methoxyphenyl)-3-(pyridin-3-yl)pyrazol-4-yl]methanol [1-(4-methoxyphenyl)-3-pyridin-3-ylpyrazol-4-yl]methanol AC1MS69Z AK286959 AKOS024412300 ZINC2541933

Inchi
InChI=1S/C16H15N3O2/c1-21-15-6-4-14(5-7-15)19-10-13(11-20)16(18-19)12-3-2-8-17-9-12/h2-10,20H,11H2,1H3
InChkey
JEYQXVXQTHCSCZ-UHFFFAOYSA-N
Canonical Smiles
COC1=CC=C(C=C1)N2C=C(C(=N2)C3=CN=CC=C3)CO
Computational chemical data
  • Molecular Weight:281.315g/mol
  • Molecular Formula:C16H15N3O2
  • Compound Is Canonicalized:True
  • Exact Mass:281.116
  • Monoisotopic Mass:281.116
  • Complexity:321
  • Rotatable Bond Count:4
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:4
  • Heavy Atom Count:21
  • 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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