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

C18H14N4O2 — CID 2908739

IUPAC6-amino-4-(5-methylfuran-2-yl)-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESCc1ccc(C2C(C#N)=C(N)Oc3n[nH]c(-c4ccccc4)c32)o1
InChIInChI=1S/C18H14N4O2/c1-10-7-8-13(23-10)14-12(9-19)17(20)24-18-15(14)16(21-22-18)11-5-3-2-4-6-11/h2-8,14H,20H2,1H3,(H,21,22)
InChIKeyRHFYTPBFUBYXOL-UHFFFAOYSA-N
MW318.34 g/mol
LogP3.20
Rot. Bonds2

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

6-amino-4-(5-methylfuran-2-yl)-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (PubChem CID 2908739) has the molecular formula C18H14N4O2 and a molecular weight of 318.34 g/mol. Its IUPAC name is 6-amino-4-(5-methylfuran-2-yl)-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.

Molecular Properties

Compound Name6-amino-4-(5-methylfuran-2-yl)-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
PubChem CID2908739
Molecular FormulaC18H14N4O2
Molecular Weight318.34 g/mol
Exact Mass318.11
IUPAC Name6-amino-4-(5-methylfuran-2-yl)-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESCc1ccc(C2C(C#N)=C(N)Oc3n[nH]c(-c4ccccc4)c32)o1
InChIInChI=1S/C18H14N4O2/c1-10-7-8-13(23-10)14-12(9-19)17(20)24-18-15(14)16(21-22-18)11-5-3-2-4-6-11/h2-8,14H,20H2,1H3,(H,21,22)
InChIKeyRHFYTPBFUBYXOL-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-4-(5-methylfuran-2-yl)-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The IUPAC name of 6-amino-4-(5-methylfuran-2-yl)-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (CID 2908739) is 6-amino-4-(5-methylfuran-2-yl)-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.
What is the SMILES notation for 6-amino-4-(5-methylfuran-2-yl)-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The canonical SMILES for 6-amino-4-(5-methylfuran-2-yl)-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is Cc1ccc(C2C(C#N)=C(N)Oc3n[nH]c(-c4ccccc4)c32)o1.
What is the InChIKey of 6-amino-4-(5-methylfuran-2-yl)-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The InChIKey is RHFYTPBFUBYXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O2/c1-10-7-8-13(23-10)14-12(9-19)17(20)24-18-15(14)16(21-22-18)11-5-3-2-4-6-11/h2-8,14H,20H2,1H3,(H,21,22).
What are the key properties of 6-amino-4-(5-methylfuran-2-yl)-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
6-amino-4-(5-methylfuran-2-yl)-3-phenyl-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-4-(5-methylfuran-2-yl)-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is sourced from PubChem (CID 2908739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).