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

C16H16N4O — CID 2881578

IUPAC6-amino-3-phenyl-4-propan-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESCC(C)C1C(C#N)=C(N)Oc2n[nH]c(-c3ccccc3)c21
InChIInChI=1S/C16H16N4O/c1-9(2)12-11(8-17)15(18)21-16-13(12)14(19-20-16)10-6-4-3-5-7-10/h3-7,9,12H,18H2,1-2H3,(H,19,20)
InChIKeyKGFLMYRETVZUOX-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.90
Rot. Bonds2

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

6-amino-3-phenyl-4-propan-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (PubChem CID 2881578) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 6-amino-3-phenyl-4-propan-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.

Molecular Properties

Compound Name6-amino-3-phenyl-4-propan-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
PubChem CID2881578
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name6-amino-3-phenyl-4-propan-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESCC(C)C1C(C#N)=C(N)Oc2n[nH]c(-c3ccccc3)c21
InChIInChI=1S/C16H16N4O/c1-9(2)12-11(8-17)15(18)21-16-13(12)14(19-20-16)10-6-4-3-5-7-10/h3-7,9,12H,18H2,1-2H3,(H,19,20)
InChIKeyKGFLMYRETVZUOX-UHFFFAOYSA-N
XLogP2.90
TPSA87.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-amino-3-phenyl-4-propan-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The IUPAC name of 6-amino-3-phenyl-4-propan-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (CID 2881578) is 6-amino-3-phenyl-4-propan-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.
What is the SMILES notation for 6-amino-3-phenyl-4-propan-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The canonical SMILES for 6-amino-3-phenyl-4-propan-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is CC(C)C1C(C#N)=C(N)Oc2n[nH]c(-c3ccccc3)c21.
What is the InChIKey of 6-amino-3-phenyl-4-propan-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The InChIKey is KGFLMYRETVZUOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-9(2)12-11(8-17)15(18)21-16-13(12)14(19-20-16)10-6-4-3-5-7-10/h3-7,9,12H,18H2,1-2H3,(H,19,20).
What are the key properties of 6-amino-3-phenyl-4-propan-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
6-amino-3-phenyl-4-propan-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile has a molecular weight of 280.33 g/mol, XLogP of 2.90, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-phenyl-4-propan-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is sourced from PubChem (CID 2881578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).