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

C18H14N4O2 — CID 4271961

IUPAC6-amino-3-methyl-4-(5-phenylfuran-2-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESCc1[nH]nc2c1C(c1ccc(-c3ccccc3)o1)C(C#N)=C(N)O2
InChIInChI=1S/C18H14N4O2/c1-10-15-16(12(9-19)17(20)24-18(15)22-21-10)14-8-7-13(23-14)11-5-3-2-4-6-11/h2-8,16H,20H2,1H3,(H,21,22)
InChIKeyLRKQBNPFDGXOQD-UHFFFAOYSA-N
MW318.34 g/mol
LogP3.20
Rot. Bonds2

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

6-amino-3-methyl-4-(5-phenylfuran-2-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (PubChem CID 4271961) has the molecular formula C18H14N4O2 and a molecular weight of 318.34 g/mol. Its IUPAC name is 6-amino-3-methyl-4-(5-phenylfuran-2-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.

Molecular Properties

Compound Name6-amino-3-methyl-4-(5-phenylfuran-2-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
PubChem CID4271961
Molecular FormulaC18H14N4O2
Molecular Weight318.34 g/mol
Exact Mass318.11
IUPAC Name6-amino-3-methyl-4-(5-phenylfuran-2-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESCc1[nH]nc2c1C(c1ccc(-c3ccccc3)o1)C(C#N)=C(N)O2
InChIInChI=1S/C18H14N4O2/c1-10-15-16(12(9-19)17(20)24-18(15)22-21-10)14-8-7-13(23-14)11-5-3-2-4-6-11/h2-8,16H,20H2,1H3,(H,21,22)
InChIKeyLRKQBNPFDGXOQD-UHFFFAOYSA-N
XLogP3.20
TPSA100.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-amino-3-methyl-4-(5-phenylfuran-2-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The IUPAC name of 6-amino-3-methyl-4-(5-phenylfuran-2-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (CID 4271961) is 6-amino-3-methyl-4-(5-phenylfuran-2-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.
What is the SMILES notation for 6-amino-3-methyl-4-(5-phenylfuran-2-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The canonical SMILES for 6-amino-3-methyl-4-(5-phenylfuran-2-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is Cc1[nH]nc2c1C(c1ccc(-c3ccccc3)o1)C(C#N)=C(N)O2.
What is the InChIKey of 6-amino-3-methyl-4-(5-phenylfuran-2-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The InChIKey is LRKQBNPFDGXOQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O2/c1-10-15-16(12(9-19)17(20)24-18(15)22-21-10)14-8-7-13(23-14)11-5-3-2-4-6-11/h2-8,16H,20H2,1H3,(H,21,22).
What are the key properties of 6-amino-3-methyl-4-(5-phenylfuran-2-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
6-amino-3-methyl-4-(5-phenylfuran-2-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile has a molecular weight of 318.34 g/mol, XLogP of 3.20, 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-phenylfuran-2-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is sourced from PubChem (CID 4271961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).