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

C15H16N4O2 — CID 3155442

IUPAC6-amino-3-tert-butyl-4-(furan-2-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESCC(C)(C)c1[nH]nc2c1C(c1ccco1)C(C#N)=C(N)O2
InChIInChI=1S/C15H16N4O2/c1-15(2,3)12-11-10(9-5-4-6-20-9)8(7-16)13(17)21-14(11)19-18-12/h4-6,10H,17H2,1-3H3,(H,18,19)
InChIKeyIDGBGOXVJYZUAC-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.52
Rot. Bonds1

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

6-amino-3-tert-butyl-4-(furan-2-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (PubChem CID 3155442) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 6-amino-3-tert-butyl-4-(furan-2-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.

Molecular Properties

Compound Name6-amino-3-tert-butyl-4-(furan-2-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
PubChem CID3155442
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name6-amino-3-tert-butyl-4-(furan-2-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESCC(C)(C)c1[nH]nc2c1C(c1ccco1)C(C#N)=C(N)O2
InChIInChI=1S/C15H16N4O2/c1-15(2,3)12-11-10(9-5-4-6-20-9)8(7-16)13(17)21-14(11)19-18-12/h4-6,10H,17H2,1-3H3,(H,18,19)
InChIKeyIDGBGOXVJYZUAC-UHFFFAOYSA-N
XLogP2.52
TPSA100.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-amino-3-tert-butyl-4-(furan-2-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The IUPAC name of 6-amino-3-tert-butyl-4-(furan-2-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (CID 3155442) is 6-amino-3-tert-butyl-4-(furan-2-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.
What is the SMILES notation for 6-amino-3-tert-butyl-4-(furan-2-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The canonical SMILES for 6-amino-3-tert-butyl-4-(furan-2-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is CC(C)(C)c1[nH]nc2c1C(c1ccco1)C(C#N)=C(N)O2.
What is the InChIKey of 6-amino-3-tert-butyl-4-(furan-2-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The InChIKey is IDGBGOXVJYZUAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c1-15(2,3)12-11-10(9-5-4-6-20-9)8(7-16)13(17)21-14(11)19-18-12/h4-6,10H,17H2,1-3H3,(H,18,19).
What are the key properties of 6-amino-3-tert-butyl-4-(furan-2-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
6-amino-3-tert-butyl-4-(furan-2-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile has a molecular weight of 284.32 g/mol, XLogP of 2.52, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-tert-butyl-4-(furan-2-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is sourced from PubChem (CID 3155442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).