200,000+ products from a single source!
sales@angenechem.com
Home > Carboxes > 1001383-88-5
1001383-88-5 | 1H-Pyrazole-1-acetic acid, 5-[(4-fluorophenyl)methyl]-3-(4-pyridinyl)-
CAS No: 1001383-88-5 Catalog No: AG00012R MDL No:MFCD21606646
Product Description
Catalog Number:
AG00012R
Chemical Name:
1H-Pyrazole-1-acetic acid, 5-[(4-fluorophenyl)methyl]-3-(4-pyridinyl)-
CAS Number:
1001383-88-5
Molecular Formula:
C17H14FN3O2
Molecular Weight:
311.3104
MDL Number:
MFCD21606646
IUPAC Name:
2-[3-[(4-fluorophenyl)methyl]-5-pyridin-4-yl-3,4-dihydropyrazol-2-yl]acetic acid
InChI:
InChI=1S/C17H16FN3O2/c18-14-3-1-12(2-4-14)9-15-10-16(13-5-7-19-8-6-13)20-21(15)11-17(22)23/h1-8,15H,9-11H2,(H,22,23)
InChI Key:
VEDAQAUNRQWMQU-UHFFFAOYSA-N
SMILES:
OC(=O)Cn1nc(cc1Cc1ccc(cc1)F)c1ccncc1
Properties
Complexity:
443
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.123g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
313.332g/mol
Monoisotopic Mass:
313.123g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
65.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.