6-amino-4-phenyl-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

C16H16N4O — CID 608925

IUPAC6-amino-4-phenyl-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESCCCc1[nH]nc2c1C(c1ccccc1)C(C#N)=C(N)O2
InChIInChI=1S/C16H16N4O/c1-2-6-12-14-13(10-7-4-3-5-8-10)11(9-17)15(18)21-16(14)20-19-12/h3-5,7-8,13H,2,6,18H2,1H3,(H,19,20)
InChIKeyGORPQIWGUYANRU-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.58
Rot. Bonds3

About 6-amino-4-phenyl-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

6-amino-4-phenyl-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (PubChem CID 608925) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 6-amino-4-phenyl-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.

Molecular Properties

Compound Name6-amino-4-phenyl-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
PubChem CID608925
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name6-amino-4-phenyl-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESCCCc1[nH]nc2c1C(c1ccccc1)C(C#N)=C(N)O2
InChIInChI=1S/C16H16N4O/c1-2-6-12-14-13(10-7-4-3-5-8-10)11(9-17)15(18)21-16(14)20-19-12/h3-5,7-8,13H,2,6,18H2,1H3,(H,19,20)
InChIKeyGORPQIWGUYANRU-UHFFFAOYSA-N
XLogP2.58
TPSA87.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-amino-4-phenyl-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The IUPAC name of 6-amino-4-phenyl-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (CID 608925) is 6-amino-4-phenyl-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.
What is the SMILES notation for 6-amino-4-phenyl-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The canonical SMILES for 6-amino-4-phenyl-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is CCCc1[nH]nc2c1C(c1ccccc1)C(C#N)=C(N)O2.
What is the InChIKey of 6-amino-4-phenyl-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The InChIKey is GORPQIWGUYANRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-2-6-12-14-13(10-7-4-3-5-8-10)11(9-17)15(18)21-16(14)20-19-12/h3-5,7-8,13H,2,6,18H2,1H3,(H,19,20).
What are the key properties of 6-amino-4-phenyl-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
6-amino-4-phenyl-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile has a molecular weight of 280.33 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-phenyl-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is sourced from PubChem (CID 608925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).