6-imino-4-methyl-3-(4-methylphenyl)-4,5-dihydro-2H-pyrano[2,3-c]pyrazole-5-carbonitrile

C15H14N4O — CID 91897437

IUPAC6-imino-4-methyl-3-(4-methylphenyl)-4,5-dihydro-2H-pyrano[2,3-c]pyrazole-5-carbonitrile
SMILES[H]/N=C1\Oc2n[nH]c(-c3ccc(C)cc3)c2C(C)C1C#N
InChIInChI=1S/C15H14N4O/c1-8-3-5-10(6-4-8)13-12-9(2)11(7-16)14(17)20-15(12)19-18-13/h3-6,9,11,17H,1-2H3,(H,18,19)/b17-14-
InChIKeyMJHLIWOETQOOQE-VKAVYKQESA-N
MW266.30 g/mol
LogP3.00
Rot. Bonds1

About 6-imino-4-methyl-3-(4-methylphenyl)-4,5-dihydro-2H-pyrano[2,3-c]pyrazole-5-carbonitrile

6-imino-4-methyl-3-(4-methylphenyl)-4,5-dihydro-2H-pyrano[2,3-c]pyrazole-5-carbonitrile (PubChem CID 91897437) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is 6-imino-4-methyl-3-(4-methylphenyl)-4,5-dihydro-2H-pyrano[2,3-c]pyrazole-5-carbonitrile.

Molecular Properties

Compound Name6-imino-4-methyl-3-(4-methylphenyl)-4,5-dihydro-2H-pyrano[2,3-c]pyrazole-5-carbonitrile
PubChem CID91897437
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name6-imino-4-methyl-3-(4-methylphenyl)-4,5-dihydro-2H-pyrano[2,3-c]pyrazole-5-carbonitrile
SMILES[H]/N=C1\Oc2n[nH]c(-c3ccc(C)cc3)c2C(C)C1C#N
InChIInChI=1S/C15H14N4O/c1-8-3-5-10(6-4-8)13-12-9(2)11(7-16)14(17)20-15(12)19-18-13/h3-6,9,11,17H,1-2H3,(H,18,19)/b17-14-
InChIKeyMJHLIWOETQOOQE-VKAVYKQESA-N
XLogP3.00
TPSA85.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-imino-4-methyl-3-(4-methylphenyl)-4,5-dihydro-2H-pyrano[2,3-c]pyrazole-5-carbonitrile?
The IUPAC name of 6-imino-4-methyl-3-(4-methylphenyl)-4,5-dihydro-2H-pyrano[2,3-c]pyrazole-5-carbonitrile (CID 91897437) is 6-imino-4-methyl-3-(4-methylphenyl)-4,5-dihydro-2H-pyrano[2,3-c]pyrazole-5-carbonitrile.
What is the SMILES notation for 6-imino-4-methyl-3-(4-methylphenyl)-4,5-dihydro-2H-pyrano[2,3-c]pyrazole-5-carbonitrile?
The canonical SMILES for 6-imino-4-methyl-3-(4-methylphenyl)-4,5-dihydro-2H-pyrano[2,3-c]pyrazole-5-carbonitrile is [H]/N=C1\Oc2n[nH]c(-c3ccc(C)cc3)c2C(C)C1C#N.
What is the InChIKey of 6-imino-4-methyl-3-(4-methylphenyl)-4,5-dihydro-2H-pyrano[2,3-c]pyrazole-5-carbonitrile?
The InChIKey is MJHLIWOETQOOQE-VKAVYKQESA-N. The full InChI is InChI=1S/C15H14N4O/c1-8-3-5-10(6-4-8)13-12-9(2)11(7-16)14(17)20-15(12)19-18-13/h3-6,9,11,17H,1-2H3,(H,18,19)/b17-14-.
What are the key properties of 6-imino-4-methyl-3-(4-methylphenyl)-4,5-dihydro-2H-pyrano[2,3-c]pyrazole-5-carbonitrile?
6-imino-4-methyl-3-(4-methylphenyl)-4,5-dihydro-2H-pyrano[2,3-c]pyrazole-5-carbonitrile has a molecular weight of 266.30 g/mol, XLogP of 3.00, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-imino-4-methyl-3-(4-methylphenyl)-4,5-dihydro-2H-pyrano[2,3-c]pyrazole-5-carbonitrile is sourced from PubChem (CID 91897437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).