6-amino-3-(4-bromophenyl)-4-(5-methylfuran-2-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

C18H13BrN4O2 — CID 2945118

IUPAC6-amino-3-(4-bromophenyl)-4-(5-methylfuran-2-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESCc1ccc(C2C(C#N)=C(N)Oc3n[nH]c(-c4ccc(Br)cc4)c32)o1
InChIInChI=1S/C18H13BrN4O2/c1-9-2-7-13(24-9)14-12(8-20)17(21)25-18-15(14)16(22-23-18)10-3-5-11(19)6-4-10/h2-7,14H,21H2,1H3,(H,22,23)
InChIKeyOCSAAZYCICRKLL-UHFFFAOYSA-N
MW397.23 g/mol
LogP3.96
Rot. Bonds2

About 6-amino-3-(4-bromophenyl)-4-(5-methylfuran-2-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

6-amino-3-(4-bromophenyl)-4-(5-methylfuran-2-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (PubChem CID 2945118) has the molecular formula C18H13BrN4O2 and a molecular weight of 397.23 g/mol. Its IUPAC name is 6-amino-3-(4-bromophenyl)-4-(5-methylfuran-2-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.

Molecular Properties

Compound Name6-amino-3-(4-bromophenyl)-4-(5-methylfuran-2-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
PubChem CID2945118
Molecular FormulaC18H13BrN4O2
Molecular Weight397.23 g/mol
Exact Mass396.02
IUPAC Name6-amino-3-(4-bromophenyl)-4-(5-methylfuran-2-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESCc1ccc(C2C(C#N)=C(N)Oc3n[nH]c(-c4ccc(Br)cc4)c32)o1
InChIInChI=1S/C18H13BrN4O2/c1-9-2-7-13(24-9)14-12(8-20)17(21)25-18-15(14)16(22-23-18)10-3-5-11(19)6-4-10/h2-7,14H,21H2,1H3,(H,22,23)
InChIKeyOCSAAZYCICRKLL-UHFFFAOYSA-N
XLogP3.96
TPSA100.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.23
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(4R)-6-amino-3-(4-fluorophenyl)-4-(5-methylfuran-2-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 706341
(4R)-6-amino-3-(3-methoxyphenyl)-4-(5-methylfuran-2-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 945986
(4R)-6-amino-4-(4-bromophenyl)-3-(4-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 993591
(4S)-6-amino-4-(4-bromophenyl)-3-(4-cyclohexylphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 1213882
(4R)-6-amino-4-[5-(4-chlorophenyl)furan-2-yl]-3-(4-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 1006246
6-amino-3-(4-bromophenyl)-4-(3,4-dimethoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 3408551
6-amino-4-(2-bromophenyl)-3-(4-methylphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 23637325
6-amino-3-(4-bromophenyl)-4-(2,3-dimethoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 2944818
(4S)-6-amino-4-(2-hydroxyphenyl)-3-(4-methylphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 7831953
6-amino-3-(4-bromophenyl)-4-(3-chloro-4-hydroxy-5-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 3982673
6-amino-4-(2-bromophenyl)-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 3569451
6-amino-3-(4-methylphenyl)-4-thiophen-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 2961967

Frequently Asked Questions

What is the IUPAC name of 6-amino-3-(4-bromophenyl)-4-(5-methylfuran-2-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The IUPAC name of 6-amino-3-(4-bromophenyl)-4-(5-methylfuran-2-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (CID 2945118) is 6-amino-3-(4-bromophenyl)-4-(5-methylfuran-2-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.
What is the SMILES notation for 6-amino-3-(4-bromophenyl)-4-(5-methylfuran-2-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The canonical SMILES for 6-amino-3-(4-bromophenyl)-4-(5-methylfuran-2-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is Cc1ccc(C2C(C#N)=C(N)Oc3n[nH]c(-c4ccc(Br)cc4)c32)o1.
What is the InChIKey of 6-amino-3-(4-bromophenyl)-4-(5-methylfuran-2-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The InChIKey is OCSAAZYCICRKLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BrN4O2/c1-9-2-7-13(24-9)14-12(8-20)17(21)25-18-15(14)16(22-23-18)10-3-5-11(19)6-4-10/h2-7,14H,21H2,1H3,(H,22,23).
What are the key properties of 6-amino-3-(4-bromophenyl)-4-(5-methylfuran-2-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
6-amino-3-(4-bromophenyl)-4-(5-methylfuran-2-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile has a molecular weight of 397.23 g/mol, XLogP of 3.96, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-(4-bromophenyl)-4-(5-methylfuran-2-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is sourced from PubChem (CID 2945118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).