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

C19H13N5O2 — CID 650594

IUPAC6-amino-4-[5-(2-cyanophenyl)furan-2-yl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESCc1[nH]nc2c1C(c1ccc(-c3ccccc3C#N)o1)C(C#N)=C(N)O2
InChIInChI=1S/C19H13N5O2/c1-10-16-17(13(9-21)18(22)26-19(16)24-23-10)15-7-6-14(25-15)12-5-3-2-4-11(12)8-20/h2-7,17H,22H2,1H3,(H,23,24)
InChIKeyLQCITFUQIIMVHZ-UHFFFAOYSA-N
MW343.35 g/mol
LogP3.07
Rot. Bonds2

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

6-amino-4-[5-(2-cyanophenyl)furan-2-yl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (PubChem CID 650594) has the molecular formula C19H13N5O2 and a molecular weight of 343.35 g/mol. Its IUPAC name is 6-amino-4-[5-(2-cyanophenyl)furan-2-yl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.

Molecular Properties

Compound Name6-amino-4-[5-(2-cyanophenyl)furan-2-yl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
PubChem CID650594
Molecular FormulaC19H13N5O2
Molecular Weight343.35 g/mol
Exact Mass343.11
IUPAC Name6-amino-4-[5-(2-cyanophenyl)furan-2-yl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESCc1[nH]nc2c1C(c1ccc(-c3ccccc3C#N)o1)C(C#N)=C(N)O2
InChIInChI=1S/C19H13N5O2/c1-10-16-17(13(9-21)18(22)26-19(16)24-23-10)15-7-6-14(25-15)12-5-3-2-4-11(12)8-20/h2-7,17H,22H2,1H3,(H,23,24)
InChIKeyLQCITFUQIIMVHZ-UHFFFAOYSA-N
XLogP3.07
TPSA124.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.35
LogP ≤ 53.07
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-(2-cyanophenyl)furan-2-yl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The IUPAC name of 6-amino-4-[5-(2-cyanophenyl)furan-2-yl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (CID 650594) is 6-amino-4-[5-(2-cyanophenyl)furan-2-yl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.
What is the SMILES notation for 6-amino-4-[5-(2-cyanophenyl)furan-2-yl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The canonical SMILES for 6-amino-4-[5-(2-cyanophenyl)furan-2-yl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is Cc1[nH]nc2c1C(c1ccc(-c3ccccc3C#N)o1)C(C#N)=C(N)O2.
What is the InChIKey of 6-amino-4-[5-(2-cyanophenyl)furan-2-yl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The InChIKey is LQCITFUQIIMVHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N5O2/c1-10-16-17(13(9-21)18(22)26-19(16)24-23-10)15-7-6-14(25-15)12-5-3-2-4-11(12)8-20/h2-7,17H,22H2,1H3,(H,23,24).
What are the key properties of 6-amino-4-[5-(2-cyanophenyl)furan-2-yl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
6-amino-4-[5-(2-cyanophenyl)furan-2-yl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile has a molecular weight of 343.35 g/mol, XLogP of 3.07, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-[5-(2-cyanophenyl)furan-2-yl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is sourced from PubChem (CID 650594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).