6-imino-3,4-dimethyl-4-phenyl-2,5-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

C15H14N4O — CID 123276601

IUPAC6-imino-3,4-dimethyl-4-phenyl-2,5-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILES[H]/N=C1\Oc2n[nH]c(C)c2C(C)(c2ccccc2)C1C#N
InChIInChI=1S/C15H14N4O/c1-9-12-14(19-18-9)20-13(17)11(8-16)15(12,2)10-6-4-3-5-7-10/h3-7,11,17H,1-2H3,(H,18,19)/b17-13-
InChIKeyZOWMLUYPUMOCSH-LGMDPLHJSA-N
MW266.30 g/mol
LogP2.53
Rot. Bonds1

About 6-imino-3,4-dimethyl-4-phenyl-2,5-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

6-imino-3,4-dimethyl-4-phenyl-2,5-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (PubChem CID 123276601) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is 6-imino-3,4-dimethyl-4-phenyl-2,5-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.

Molecular Properties

Compound Name6-imino-3,4-dimethyl-4-phenyl-2,5-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
PubChem CID123276601
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name6-imino-3,4-dimethyl-4-phenyl-2,5-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILES[H]/N=C1\Oc2n[nH]c(C)c2C(C)(c2ccccc2)C1C#N
InChIInChI=1S/C15H14N4O/c1-9-12-14(19-18-9)20-13(17)11(8-16)15(12,2)10-6-4-3-5-7-10/h3-7,11,17H,1-2H3,(H,18,19)/b17-13-
InChIKeyZOWMLUYPUMOCSH-LGMDPLHJSA-N
XLogP2.53
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 ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-imino-3-methylspiro[2,5-dihydropyrano[2,3-c]pyrazole-4,4'-oxane]-5-carbonitrile
CID 91897897
4-(2-fluorophenyl)-6-imino-3-methyl-4,5-dihydro-2H-pyrano[2,3-c]pyrazole-5-carbonitrile
CID 175687518
6-imino-3-methyl-4-thiophen-2-yl-4,5-dihydro-2H-pyrano[2,3-c]pyrazole-5-carbonitrile
CID 171991317
6-imino-3-methyl-4-(4-nitrophenyl)-4,5-dihydro-2H-pyrano[2,3-c]pyrazole-5-carbonitrile
CID 91145623
4-(2,5-dimethylphenyl)-6-imino-3-methyl-4,5-dihydro-2H-pyrano[2,3-c]pyrazole-5-carbonitrile
CID 123618247
6-amino-3-methyl-4-phenyl-5,6-dihydro-2H-pyrano[2,3-c]pyrazole-4-carbonitrile
CID 135345473
6-amino-3-methylspiro[2H-pyrano[2,3-c]pyrazole-4,9'-fluorene]-5-carbonitrile
CID 12924203
6-imino-4-methyl-3-(4-methylphenyl)-4,5-dihydro-2H-pyrano[2,3-c]pyrazole-5-carbonitrile
CID 91897437
6-amino-4-(3-bromophenyl)-4-ethyl-3-methyl-2H-pyrano[2,3-c]pyrazole-5-carbonitrile
CID 72549697
(4S)-6-amino-3-methyl-4-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 677573
(3R,5S)-4-methyl-2,6-dioxo-4-phenylpiperidine-3,5-dicarbonitrile
CID 51537056
6-amino-1'-benzoyl-3-methyl-2'-oxospiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile
CID 6737950

Frequently Asked Questions

What is the IUPAC name of 6-imino-3,4-dimethyl-4-phenyl-2,5-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The IUPAC name of 6-imino-3,4-dimethyl-4-phenyl-2,5-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (CID 123276601) is 6-imino-3,4-dimethyl-4-phenyl-2,5-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.
What is the SMILES notation for 6-imino-3,4-dimethyl-4-phenyl-2,5-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The canonical SMILES for 6-imino-3,4-dimethyl-4-phenyl-2,5-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is [H]/N=C1\Oc2n[nH]c(C)c2C(C)(c2ccccc2)C1C#N.
What is the InChIKey of 6-imino-3,4-dimethyl-4-phenyl-2,5-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The InChIKey is ZOWMLUYPUMOCSH-LGMDPLHJSA-N. The full InChI is InChI=1S/C15H14N4O/c1-9-12-14(19-18-9)20-13(17)11(8-16)15(12,2)10-6-4-3-5-7-10/h3-7,11,17H,1-2H3,(H,18,19)/b17-13-.
What are the key properties of 6-imino-3,4-dimethyl-4-phenyl-2,5-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
6-imino-3,4-dimethyl-4-phenyl-2,5-dihydropyrano[2,3-c]pyrazole-5-carbonitrile has a molecular weight of 266.30 g/mol, XLogP of 2.53, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-imino-3,4-dimethyl-4-phenyl-2,5-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is sourced from PubChem (CID 123276601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).