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1637739-82-2 | Pyrano[2,3-c]pyrazole-5-carbonitrile, 6-amino-1,4-dihydro-1,3-dimethyl-4-[4-(trifluoromethyl)phenyl]-
CAS No: 1637739-82-2 Catalog No: AG001UDO MDL No:MFCD28902198
Product Description
Catalog Number:
AG001UDO
Chemical Name:
Pyrano[2,3-c]pyrazole-5-carbonitrile, 6-amino-1,4-dihydro-1,3-dimethyl-4-[4-(trifluoromethyl)phenyl]-
CAS Number:
1637739-82-2
Molecular Formula:
C16H13F3N4O
Molecular Weight:
334.2958
MDL Number:
MFCD28902198
IUPAC Name:
6-amino-1,3-dimethyl-4-[4-(trifluoromethyl)phenyl]-4H-pyrano[2,3-c]pyrazole-5-carbonitrile
InChI:
InChI=1S/C16H13F3N4O/c1-8-12-13(9-3-5-10(6-4-9)16(17,18)19)11(7-20)14(21)24-15(12)23(2)22-8/h3-6,13H,21H2,1-2H3
InChI Key:
IJCMHHSFXFMZAI-UHFFFAOYSA-N
SMILES:
N#CC1=C(N)Oc2c(C1c1ccc(cc1)C(F)(F)F)c(C)nn2C
Properties
Complexity:
574
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.104g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
334.302g/mol
Monoisotopic Mass:
334.104g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
76.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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