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

C19H16N4O3 — CID 3829864

IUPAC6-amino-4-[5-(4-methoxyphenyl)furan-2-yl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESCOc1ccc(-c2ccc(C3C(C#N)=C(N)Oc4n[nH]c(C)c43)o2)cc1
InChIInChI=1S/C19H16N4O3/c1-10-16-17(13(9-20)18(21)26-19(16)23-22-10)15-8-7-14(25-15)11-3-5-12(24-2)6-4-11/h3-8,17H,21H2,1-2H3,(H,22,23)
InChIKeyJKTOYRRIZGTMHN-UHFFFAOYSA-N
MW348.36 g/mol
LogP3.20
Rot. Bonds3

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

6-amino-4-[5-(4-methoxyphenyl)furan-2-yl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (PubChem CID 3829864) has the molecular formula C19H16N4O3 and a molecular weight of 348.36 g/mol. Its IUPAC name is 6-amino-4-[5-(4-methoxyphenyl)furan-2-yl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.

Molecular Properties

Compound Name6-amino-4-[5-(4-methoxyphenyl)furan-2-yl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
PubChem CID3829864
Molecular FormulaC19H16N4O3
Molecular Weight348.36 g/mol
Exact Mass348.12
IUPAC Name6-amino-4-[5-(4-methoxyphenyl)furan-2-yl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESCOc1ccc(-c2ccc(C3C(C#N)=C(N)Oc4n[nH]c(C)c43)o2)cc1
InChIInChI=1S/C19H16N4O3/c1-10-16-17(13(9-20)18(21)26-19(16)23-22-10)15-8-7-14(25-15)11-3-5-12(24-2)6-4-11/h3-8,17H,21H2,1-2H3,(H,22,23)
InChIKeyJKTOYRRIZGTMHN-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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Frequently Asked Questions

What is the IUPAC name of 6-amino-4-[5-(4-methoxyphenyl)furan-2-yl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The IUPAC name of 6-amino-4-[5-(4-methoxyphenyl)furan-2-yl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (CID 3829864) is 6-amino-4-[5-(4-methoxyphenyl)furan-2-yl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.
What is the SMILES notation for 6-amino-4-[5-(4-methoxyphenyl)furan-2-yl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The canonical SMILES for 6-amino-4-[5-(4-methoxyphenyl)furan-2-yl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is COc1ccc(-c2ccc(C3C(C#N)=C(N)Oc4n[nH]c(C)c43)o2)cc1.
What is the InChIKey of 6-amino-4-[5-(4-methoxyphenyl)furan-2-yl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The InChIKey is JKTOYRRIZGTMHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O3/c1-10-16-17(13(9-20)18(21)26-19(16)23-22-10)15-8-7-14(25-15)11-3-5-12(24-2)6-4-11/h3-8,17H,21H2,1-2H3,(H,22,23).
What are the key properties of 6-amino-4-[5-(4-methoxyphenyl)furan-2-yl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
6-amino-4-[5-(4-methoxyphenyl)furan-2-yl]-3-methyl-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-4-[5-(4-methoxyphenyl)furan-2-yl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is sourced from PubChem (CID 3829864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).