6-amino-4-[(E)-1-(furan-2-yl)prop-1-en-2-yl]-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

C20H16N4O2 — CID 5291857

IUPAC6-amino-4-[(E)-1-(furan-2-yl)prop-1-en-2-yl]-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESC/C(=C\c1ccco1)C1C(C#N)=C(N)Oc2n[nH]c(-c3ccccc3)c21
InChIInChI=1S/C20H16N4O2/c1-12(10-14-8-5-9-25-14)16-15(11-21)19(22)26-20-17(16)18(23-24-20)13-6-3-2-4-7-13/h2-10,16H,22H2,1H3,(H,23,24)/b12-10+
InChIKeyORRIBHZQKOAYQB-ZRDIBKRKSA-N
MW344.37 g/mol
LogP3.94
Rot. Bonds3

About 6-amino-4-[(E)-1-(furan-2-yl)prop-1-en-2-yl]-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

6-amino-4-[(E)-1-(furan-2-yl)prop-1-en-2-yl]-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (PubChem CID 5291857) has the molecular formula C20H16N4O2 and a molecular weight of 344.37 g/mol. Its IUPAC name is 6-amino-4-[(E)-1-(furan-2-yl)prop-1-en-2-yl]-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.

Molecular Properties

Compound Name6-amino-4-[(E)-1-(furan-2-yl)prop-1-en-2-yl]-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
PubChem CID5291857
Molecular FormulaC20H16N4O2
Molecular Weight344.37 g/mol
Exact Mass344.13
IUPAC Name6-amino-4-[(E)-1-(furan-2-yl)prop-1-en-2-yl]-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESC/C(=C\c1ccco1)C1C(C#N)=C(N)Oc2n[nH]c(-c3ccccc3)c21
InChIInChI=1S/C20H16N4O2/c1-12(10-14-8-5-9-25-14)16-15(11-21)19(22)26-20-17(16)18(23-24-20)13-6-3-2-4-7-13/h2-10,16H,22H2,1H3,(H,23,24)/b12-10+
InChIKeyORRIBHZQKOAYQB-ZRDIBKRKSA-N
XLogP3.94
TPSA100.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-amino-4-[(E)-1-(furan-2-yl)prop-1-en-2-yl]-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The IUPAC name of 6-amino-4-[(E)-1-(furan-2-yl)prop-1-en-2-yl]-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (CID 5291857) is 6-amino-4-[(E)-1-(furan-2-yl)prop-1-en-2-yl]-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.
What is the SMILES notation for 6-amino-4-[(E)-1-(furan-2-yl)prop-1-en-2-yl]-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The canonical SMILES for 6-amino-4-[(E)-1-(furan-2-yl)prop-1-en-2-yl]-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is C/C(=C\c1ccco1)C1C(C#N)=C(N)Oc2n[nH]c(-c3ccccc3)c21.
What is the InChIKey of 6-amino-4-[(E)-1-(furan-2-yl)prop-1-en-2-yl]-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The InChIKey is ORRIBHZQKOAYQB-ZRDIBKRKSA-N. The full InChI is InChI=1S/C20H16N4O2/c1-12(10-14-8-5-9-25-14)16-15(11-21)19(22)26-20-17(16)18(23-24-20)13-6-3-2-4-7-13/h2-10,16H,22H2,1H3,(H,23,24)/b12-10+.
What are the key properties of 6-amino-4-[(E)-1-(furan-2-yl)prop-1-en-2-yl]-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
6-amino-4-[(E)-1-(furan-2-yl)prop-1-en-2-yl]-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile has a molecular weight of 344.37 g/mol, XLogP of 3.94, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-[(E)-1-(furan-2-yl)prop-1-en-2-yl]-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is sourced from PubChem (CID 5291857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).