AC1MFITU
6-amino-1-benzyl-3-methyl-4-(4-nitrophenyl)-4H-pyrano[3,2-d]pyrazole-5-carbonitrile
Also Known As: BAS 01030003|AB00099114-01|AG-690/13153285|6-amino-1-benzyl-3-methyl-4-(4-nitrophenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile|6-amino-1-benzyl-3-methyl-4-(4-nitrophenyl)-4H-pyrano[2,3-c]pyrazole-5-carbonitrile|6-amino-3-methyl-4-(4-nitrophenyl)-1-benzyl-4H-pyrano[3,2-d]pyrazole-5-carboni trile|6-amino-4-{4-nitrophenyl}-3-methyl-1-(phenylmethyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
| Molecular Formula | C21H17N5O3 |
|---|---|
| Molecular Weight | 387.13315 g/mol |
| LogP | 3.3662 |
| Topological Polar Surface Area | 120.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 387.13315 |
| Monoisotopic Mass | 387.13315 |
| Heavy Atoms | 29 |
| Complexity | 1157.5225 |
Chemical Identifiers
| CAS Number | 5847-48-3 |
|---|---|
| SMILES | CC1=NN(C2=C1C(C(=C(O2)N)C#N)C3=CC=C(C=C3)[N+](=O)[O-])CC4=CC=CC=C4 |
Product Overview
AC1MFITU (CAS 5847-48-3), with molecular formula C21H17N5O3 and molecular weight 387.13315 g/mol. IUPAC: 6-amino-1-benzyl-3-methyl-4-(4-nitrophenyl)-4H-pyrano[3,2-d]pyrazole-5-carbonitrile.
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