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1001383-87-4 | 1H-Pyrazole-1-acetic acid, 5-[(4-fluorophenyl)methyl]-3-(4-pyridinyl)-, methyl ester
CAS No: 1001383-87-4 Catalog No: AG00012S MDL No:MFCD25371998
Product Description
Catalog Number:
AG00012S
Chemical Name:
1H-Pyrazole-1-acetic acid, 5-[(4-fluorophenyl)methyl]-3-(4-pyridinyl)-, methyl ester
CAS Number:
1001383-87-4
Molecular Formula:
C18H16FN3O2
Molecular Weight:
325.3369
MDL Number:
MFCD25371998
IUPAC Name:
methyl 2-[3-[(4-fluorophenyl)methyl]-5-pyridin-4-yl-3,4-dihydropyrazol-2-yl]acetate
InChI:
InChI=1S/C18H18FN3O2/c1-24-18(23)12-22-16(10-13-2-4-15(19)5-3-13)11-17(21-22)14-6-8-20-9-7-14/h2-9,16H,10-12H2,1H3
InChI Key:
YVQMEGGXHXLTKF-UHFFFAOYSA-N
SMILES:
COC(=O)Cn1nc(cc1Cc1ccc(cc1)F)c1ccncc1
Properties
Complexity:
457
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
327.138g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
327.359g/mol
Monoisotopic Mass:
327.138g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
54.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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