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

C19H16N4O3 — CID 4979266

IUPAC6-amino-3-(3-methoxyphenyl)-4-(5-methylfuran-2-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESCOc1cccc(-c2[nH]nc3c2C(c2ccc(C)o2)C(C#N)=C(N)O3)c1
InChIInChI=1S/C19H16N4O3/c1-10-6-7-14(25-10)15-13(9-20)18(21)26-19-16(15)17(22-23-19)11-4-3-5-12(8-11)24-2/h3-8,15H,21H2,1-2H3,(H,22,23)
InChIKeyXDXFDTWRMBZNAH-UHFFFAOYSA-N
MW348.36 g/mol
LogP3.20
Rot. Bonds3

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

6-amino-3-(3-methoxyphenyl)-4-(5-methylfuran-2-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (PubChem CID 4979266) has the molecular formula C19H16N4O3 and a molecular weight of 348.36 g/mol. Its IUPAC name is 6-amino-3-(3-methoxyphenyl)-4-(5-methylfuran-2-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.

Molecular Properties

Compound Name6-amino-3-(3-methoxyphenyl)-4-(5-methylfuran-2-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
PubChem CID4979266
Molecular FormulaC19H16N4O3
Molecular Weight348.36 g/mol
Exact Mass348.12
IUPAC Name6-amino-3-(3-methoxyphenyl)-4-(5-methylfuran-2-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESCOc1cccc(-c2[nH]nc3c2C(c2ccc(C)o2)C(C#N)=C(N)O3)c1
InChIInChI=1S/C19H16N4O3/c1-10-6-7-14(25-10)15-13(9-20)18(21)26-19-16(15)17(22-23-19)11-4-3-5-12(8-11)24-2/h3-8,15H,21H2,1-2H3,(H,22,23)
InChIKeyXDXFDTWRMBZNAH-UHFFFAOYSA-N
XLogP3.20
TPSA110.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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
6-Amino-1-benzyl-4-(furan-2-yl)-3-methyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 2872325
6-Amino-3-methyl-4-(5-(p-tolyl)furan-2-yl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 3737081
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-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
6-Amino-3-(4-ethoxy-phenyl)-4-furan-3-yl-1,4-dihydro-pyrano[2,3-c]pyrazole-5-carbonitrile
CID 2945923
6-Amino-4-(furan-2-yl)-3-{[(4-methylphenyl)sulfanyl]methyl}-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 2961855
6-Amino-3-methyl-4-(5-methyl-furan-2-yl)-1-p-tolyl-1,4-dihydro-pyrano[2,3-c]pyrazole-5-carbonitrile
CID 3137239

Frequently Asked Questions

What is the IUPAC name of 6-amino-3-(3-methoxyphenyl)-4-(5-methylfuran-2-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The IUPAC name of 6-amino-3-(3-methoxyphenyl)-4-(5-methylfuran-2-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (CID 4979266) is 6-amino-3-(3-methoxyphenyl)-4-(5-methylfuran-2-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.
What is the SMILES notation for 6-amino-3-(3-methoxyphenyl)-4-(5-methylfuran-2-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The canonical SMILES for 6-amino-3-(3-methoxyphenyl)-4-(5-methylfuran-2-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is COc1cccc(-c2[nH]nc3c2C(c2ccc(C)o2)C(C#N)=C(N)O3)c1.
What is the InChIKey of 6-amino-3-(3-methoxyphenyl)-4-(5-methylfuran-2-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The InChIKey is XDXFDTWRMBZNAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O3/c1-10-6-7-14(25-10)15-13(9-20)18(21)26-19-16(15)17(22-23-19)11-4-3-5-12(8-11)24-2/h3-8,15H,21H2,1-2H3,(H,22,23).
What are the key properties of 6-amino-3-(3-methoxyphenyl)-4-(5-methylfuran-2-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
6-amino-3-(3-methoxyphenyl)-4-(5-methylfuran-2-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile has a molecular weight of 348.36 g/mol, XLogP of 3.20, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-(3-methoxyphenyl)-4-(5-methylfuran-2-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is sourced from PubChem (CID 4979266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).