6-amino-3-methylspiro[2H-pyrano[2,3-c]pyrazole-4,9'-fluorene]-5-carbonitrile

C20H14N4O — CID 12924203

IUPAC6-amino-3-methylspiro[2H-pyrano[2,3-c]pyrazole-4,9'-fluorene]-5-carbonitrile
SMILESCc1[nH]nc2c1C1(C(C#N)=C(N)O2)c2ccccc2-c2ccccc21
InChIInChI=1S/C20H14N4O/c1-11-17-19(24-23-11)25-18(22)16(10-21)20(17)14-8-4-2-6-12(14)13-7-3-5-9-15(13)20/h2-9H,22H2,1H3,(H,23,24)
InChIKeyDWYREZQPJRBHLO-UHFFFAOYSA-N
MW326.36 g/mol
LogP3.12
Rot. Bonds

About 6-amino-3-methylspiro[2H-pyrano[2,3-c]pyrazole-4,9'-fluorene]-5-carbonitrile

6-amino-3-methylspiro[2H-pyrano[2,3-c]pyrazole-4,9'-fluorene]-5-carbonitrile (PubChem CID 12924203) has the molecular formula C20H14N4O and a molecular weight of 326.36 g/mol. Its IUPAC name is 6-amino-3-methylspiro[2H-pyrano[2,3-c]pyrazole-4,9'-fluorene]-5-carbonitrile.

Molecular Properties

Compound Name6-amino-3-methylspiro[2H-pyrano[2,3-c]pyrazole-4,9'-fluorene]-5-carbonitrile
PubChem CID12924203
Molecular FormulaC20H14N4O
Molecular Weight326.36 g/mol
Exact Mass326.12
IUPAC Name6-amino-3-methylspiro[2H-pyrano[2,3-c]pyrazole-4,9'-fluorene]-5-carbonitrile
SMILESCc1[nH]nc2c1C1(C(C#N)=C(N)O2)c2ccccc2-c2ccccc21
InChIInChI=1S/C20H14N4O/c1-11-17-19(24-23-11)25-18(22)16(10-21)20(17)14-8-4-2-6-12(14)13-7-3-5-9-15(13)20/h2-9H,22H2,1H3,(H,23,24)
InChIKeyDWYREZQPJRBHLO-UHFFFAOYSA-N
XLogP3.12
TPSA87.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-amino-3-methylspiro[2H-pyrano[2,3-c]pyrazole-4,9'-fluorene]-5-carbonitrile?
The IUPAC name of 6-amino-3-methylspiro[2H-pyrano[2,3-c]pyrazole-4,9'-fluorene]-5-carbonitrile (CID 12924203) is 6-amino-3-methylspiro[2H-pyrano[2,3-c]pyrazole-4,9'-fluorene]-5-carbonitrile.
What is the SMILES notation for 6-amino-3-methylspiro[2H-pyrano[2,3-c]pyrazole-4,9'-fluorene]-5-carbonitrile?
The canonical SMILES for 6-amino-3-methylspiro[2H-pyrano[2,3-c]pyrazole-4,9'-fluorene]-5-carbonitrile is Cc1[nH]nc2c1C1(C(C#N)=C(N)O2)c2ccccc2-c2ccccc21.
What is the InChIKey of 6-amino-3-methylspiro[2H-pyrano[2,3-c]pyrazole-4,9'-fluorene]-5-carbonitrile?
The InChIKey is DWYREZQPJRBHLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N4O/c1-11-17-19(24-23-11)25-18(22)16(10-21)20(17)14-8-4-2-6-12(14)13-7-3-5-9-15(13)20/h2-9H,22H2,1H3,(H,23,24).
What are the key properties of 6-amino-3-methylspiro[2H-pyrano[2,3-c]pyrazole-4,9'-fluorene]-5-carbonitrile?
6-amino-3-methylspiro[2H-pyrano[2,3-c]pyrazole-4,9'-fluorene]-5-carbonitrile has a molecular weight of 326.36 g/mol, XLogP of 3.12, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-methylspiro[2H-pyrano[2,3-c]pyrazole-4,9'-fluorene]-5-carbonitrile is sourced from PubChem (CID 12924203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).