6-amino-4-cyclohex-2-en-1-yl-3-propan-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

C16H20N4O — CID 5133527

IUPAC6-amino-4-cyclohex-2-en-1-yl-3-propan-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESCC(C)c1[nH]nc2c1C(C1C=CCCC1)C(C#N)=C(N)O2
InChIInChI=1S/C16H20N4O/c1-9(2)14-13-12(10-6-4-3-5-7-10)11(8-17)15(18)21-16(13)20-19-14/h4,6,9-10,12H,3,5,7,18H2,1-2H3,(H,19,20)
InChIKeyHZGFNBZQOYQPBT-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.06
Rot. Bonds2

About 6-amino-4-cyclohex-2-en-1-yl-3-propan-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

6-amino-4-cyclohex-2-en-1-yl-3-propan-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (PubChem CID 5133527) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 6-amino-4-cyclohex-2-en-1-yl-3-propan-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.

Molecular Properties

Compound Name6-amino-4-cyclohex-2-en-1-yl-3-propan-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
PubChem CID5133527
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name6-amino-4-cyclohex-2-en-1-yl-3-propan-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESCC(C)c1[nH]nc2c1C(C1C=CCCC1)C(C#N)=C(N)O2
InChIInChI=1S/C16H20N4O/c1-9(2)14-13-12(10-6-4-3-5-7-10)11(8-17)15(18)21-16(13)20-19-14/h4,6,9-10,12H,3,5,7,18H2,1-2H3,(H,19,20)
InChIKeyHZGFNBZQOYQPBT-UHFFFAOYSA-N
XLogP3.06
TPSA87.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 6-amino-4-cyclohex-2-en-1-yl-3-propan-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-amino-4-cyclohex-2-en-1-yl-3-propan-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The IUPAC name of 6-amino-4-cyclohex-2-en-1-yl-3-propan-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (CID 5133527) is 6-amino-4-cyclohex-2-en-1-yl-3-propan-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.
What is the SMILES notation for 6-amino-4-cyclohex-2-en-1-yl-3-propan-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The canonical SMILES for 6-amino-4-cyclohex-2-en-1-yl-3-propan-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is CC(C)c1[nH]nc2c1C(C1C=CCCC1)C(C#N)=C(N)O2.
What is the InChIKey of 6-amino-4-cyclohex-2-en-1-yl-3-propan-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The InChIKey is HZGFNBZQOYQPBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-9(2)14-13-12(10-6-4-3-5-7-10)11(8-17)15(18)21-16(13)20-19-14/h4,6,9-10,12H,3,5,7,18H2,1-2H3,(H,19,20).
What are the key properties of 6-amino-4-cyclohex-2-en-1-yl-3-propan-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
6-amino-4-cyclohex-2-en-1-yl-3-propan-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile has a molecular weight of 284.36 g/mol, XLogP of 3.06, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-cyclohex-2-en-1-yl-3-propan-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is sourced from PubChem (CID 5133527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).