6-amino-3-methyl-4-[5-(4-methylphenyl)furan-2-yl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

C19H16N4O2 — CID 3737081

IUPAC6-amino-3-methyl-4-[5-(4-methylphenyl)furan-2-yl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESCc1ccc(-c2ccc(C3C(C#N)=C(N)Oc4n[nH]c(C)c43)o2)cc1
InChIInChI=1S/C19H16N4O2/c1-10-3-5-12(6-4-10)14-7-8-15(24-14)17-13(9-20)18(21)25-19-16(17)11(2)22-23-19/h3-8,17H,21H2,1-2H3,(H,22,23)
InChIKeyXPFYZPQFFRMZKY-UHFFFAOYSA-N
MW332.36 g/mol
LogP3.50
Rot. Bonds2

About 6-amino-3-methyl-4-[5-(4-methylphenyl)furan-2-yl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

6-amino-3-methyl-4-[5-(4-methylphenyl)furan-2-yl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (PubChem CID 3737081) has the molecular formula C19H16N4O2 and a molecular weight of 332.36 g/mol. Its IUPAC name is 6-amino-3-methyl-4-[5-(4-methylphenyl)furan-2-yl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.

Molecular Properties

Compound Name6-amino-3-methyl-4-[5-(4-methylphenyl)furan-2-yl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
PubChem CID3737081
Molecular FormulaC19H16N4O2
Molecular Weight332.36 g/mol
Exact Mass332.13
IUPAC Name6-amino-3-methyl-4-[5-(4-methylphenyl)furan-2-yl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESCc1ccc(-c2ccc(C3C(C#N)=C(N)Oc4n[nH]c(C)c43)o2)cc1
InChIInChI=1S/C19H16N4O2/c1-10-3-5-12(6-4-10)14-7-8-15(24-14)17-13(9-20)18(21)25-19-16(17)11(2)22-23-19/h3-8,17H,21H2,1-2H3,(H,22,23)
InChIKeyXPFYZPQFFRMZKY-UHFFFAOYSA-N
XLogP3.50
TPSA100.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-Amino-4-(furan-2-yl)-3-methyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 3128137
6-Amino-4-[5-(2-cyanophenyl)-2-furyl]-3-methyl-1,4-dihydropyrano[2,3-C]pyrazole-5-carbonitrile
CID 650594
4-(6-Amino-5-cyano-3-methyl-1,4-dihydropyrano[2,3-c]pyrazol-4-yl)phenyl 2-furoate
CID 565752
6-Amino-1-benzyl-4-(furan-2-yl)-3-methyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 2872325
4-(6-Amino-5-cyano-3-propyl-1,4-dihydropyrano[2,3-c]pyrazol-4-yl)phenyl 2-furoate
CID 2908286
2-Furancarboxylic acid [4-(6-amino-5-cyano-3-propan-2-yl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)phenyl] ester
CID 3243771
6-Amino-4-[5-(4-chlorophenyl)-2-furyl]-3-methyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 3770471
6-Amino-4-(5-(4-methoxyphenyl)furan-2-yl)-3-methyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 3829864
6-Amino-3-(3-methoxyphenyl)-4-(5-methylfuran-2-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 4979266
6-amino-4-[(E)-2-(2-furyl)-1-methylvinyl]-3-phenyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 5291857
6-Amino-4-(furan-2-yl)-3-methyl-1-phenyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 658191
6-Amino-4-(5-methyl-2-furyl)-3-phenyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 2908739

Frequently Asked Questions

What is the IUPAC name of 6-amino-3-methyl-4-[5-(4-methylphenyl)furan-2-yl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The IUPAC name of 6-amino-3-methyl-4-[5-(4-methylphenyl)furan-2-yl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (CID 3737081) is 6-amino-3-methyl-4-[5-(4-methylphenyl)furan-2-yl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.
What is the SMILES notation for 6-amino-3-methyl-4-[5-(4-methylphenyl)furan-2-yl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The canonical SMILES for 6-amino-3-methyl-4-[5-(4-methylphenyl)furan-2-yl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is Cc1ccc(-c2ccc(C3C(C#N)=C(N)Oc4n[nH]c(C)c43)o2)cc1.
What is the InChIKey of 6-amino-3-methyl-4-[5-(4-methylphenyl)furan-2-yl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The InChIKey is XPFYZPQFFRMZKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2/c1-10-3-5-12(6-4-10)14-7-8-15(24-14)17-13(9-20)18(21)25-19-16(17)11(2)22-23-19/h3-8,17H,21H2,1-2H3,(H,22,23).
What are the key properties of 6-amino-3-methyl-4-[5-(4-methylphenyl)furan-2-yl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
6-amino-3-methyl-4-[5-(4-methylphenyl)furan-2-yl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile has a molecular weight of 332.36 g/mol, XLogP of 3.50, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-methyl-4-[5-(4-methylphenyl)furan-2-yl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is sourced from PubChem (CID 3737081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).