3-(2,5-dimethoxyphenyl)-4-(furan-2-yl)-6-imino-4,5-dihydro-2H-pyrano[2,3-c]pyrazole-5-carbonitrile

C19H16N4O4 — CID 91897939

IUPAC3-(2,5-dimethoxyphenyl)-4-(furan-2-yl)-6-imino-4,5-dihydro-2H-pyrano[2,3-c]pyrazole-5-carbonitrile
SMILES[H]/N=C1\Oc2n[nH]c(-c3cc(OC)ccc3OC)c2C(c2ccco2)C1C#N
InChIInChI=1S/C19H16N4O4/c1-24-10-5-6-13(25-2)11(8-10)17-16-15(14-4-3-7-26-14)12(9-20)18(21)27-19(16)23-22-17/h3-8,12,15,21H,1-2H3,(H,22,23)/b21-18-
InChIKeyNDGCNWGDTBIDCS-UZYVYHOESA-N
MW364.36 g/mol
LogP3.33
Rot. Bonds4

About 3-(2,5-dimethoxyphenyl)-4-(furan-2-yl)-6-imino-4,5-dihydro-2H-pyrano[2,3-c]pyrazole-5-carbonitrile

3-(2,5-dimethoxyphenyl)-4-(furan-2-yl)-6-imino-4,5-dihydro-2H-pyrano[2,3-c]pyrazole-5-carbonitrile (PubChem CID 91897939) has the molecular formula C19H16N4O4 and a molecular weight of 364.36 g/mol. Its IUPAC name is 3-(2,5-dimethoxyphenyl)-4-(furan-2-yl)-6-imino-4,5-dihydro-2H-pyrano[2,3-c]pyrazole-5-carbonitrile.

Molecular Properties

Compound Name3-(2,5-dimethoxyphenyl)-4-(furan-2-yl)-6-imino-4,5-dihydro-2H-pyrano[2,3-c]pyrazole-5-carbonitrile
PubChem CID91897939
Molecular FormulaC19H16N4O4
Molecular Weight364.36 g/mol
Exact Mass364.12
IUPAC Name3-(2,5-dimethoxyphenyl)-4-(furan-2-yl)-6-imino-4,5-dihydro-2H-pyrano[2,3-c]pyrazole-5-carbonitrile
SMILES[H]/N=C1\Oc2n[nH]c(-c3cc(OC)ccc3OC)c2C(c2ccco2)C1C#N
InChIInChI=1S/C19H16N4O4/c1-24-10-5-6-13(25-2)11(8-10)17-16-15(14-4-3-7-26-14)12(9-20)18(21)27-19(16)23-22-17/h3-8,12,15,21H,1-2H3,(H,22,23)/b21-18-
InChIKeyNDGCNWGDTBIDCS-UZYVYHOESA-N
XLogP3.33
TPSA117.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.36
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

6-amino-3-(2,5-dimethoxyphenyl)-4-(furan-2-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 2946490
6-amino-3-(2,5-dimethoxyphenyl)-4-(4-methylphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 3155375
(4S)-6-amino-3-(2,5-dimethoxyphenyl)-4-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 1087959
(4R)-6-amino-4-(2,3-dichlorophenyl)-3-(2,5-dimethoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 1087954
6-amino-3-(2,5-dimethoxyphenyl)-4-(4-propan-2-yloxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 2946260
6-imino-4-methyl-3-(4-methylphenyl)-4,5-dihydro-2H-pyrano[2,3-c]pyrazole-5-carbonitrile
CID 91897437
(4R)-6-amino-4-(2,5-dimethoxyphenyl)-3-naphthalen-1-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 1212680
(3R,4R)-4-(furan-2-yl)-2-imino-5-oxo-3,4-dihydropyrano[3,2-c]chromene-3-carbonitrile
CID 7114899
4-(3-fluorophenyl)-2-imino-7-methoxy-3,4-dihydrochromene-3-carbonitrile
CID 90996621
6-imino-3-methyl-4-thiophen-2-yl-4,5-dihydro-2H-pyrano[2,3-c]pyrazole-5-carbonitrile
CID 171991317
4-(2-fluorophenyl)-6-imino-3-methyl-4,5-dihydro-2H-pyrano[2,3-c]pyrazole-5-carbonitrile
CID 175687518
ethyl 2-[5-cyano-4-(2,3-dimethoxyphenyl)-6-imino-4,5-dihydro-2H-pyrano[2,3-c]pyrazol-3-yl]acetate
CID 91897881

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethoxyphenyl)-4-(furan-2-yl)-6-imino-4,5-dihydro-2H-pyrano[2,3-c]pyrazole-5-carbonitrile?
The IUPAC name of 3-(2,5-dimethoxyphenyl)-4-(furan-2-yl)-6-imino-4,5-dihydro-2H-pyrano[2,3-c]pyrazole-5-carbonitrile (CID 91897939) is 3-(2,5-dimethoxyphenyl)-4-(furan-2-yl)-6-imino-4,5-dihydro-2H-pyrano[2,3-c]pyrazole-5-carbonitrile.
What is the SMILES notation for 3-(2,5-dimethoxyphenyl)-4-(furan-2-yl)-6-imino-4,5-dihydro-2H-pyrano[2,3-c]pyrazole-5-carbonitrile?
The canonical SMILES for 3-(2,5-dimethoxyphenyl)-4-(furan-2-yl)-6-imino-4,5-dihydro-2H-pyrano[2,3-c]pyrazole-5-carbonitrile is [H]/N=C1\Oc2n[nH]c(-c3cc(OC)ccc3OC)c2C(c2ccco2)C1C#N.
What is the InChIKey of 3-(2,5-dimethoxyphenyl)-4-(furan-2-yl)-6-imino-4,5-dihydro-2H-pyrano[2,3-c]pyrazole-5-carbonitrile?
The InChIKey is NDGCNWGDTBIDCS-UZYVYHOESA-N. The full InChI is InChI=1S/C19H16N4O4/c1-24-10-5-6-13(25-2)11(8-10)17-16-15(14-4-3-7-26-14)12(9-20)18(21)27-19(16)23-22-17/h3-8,12,15,21H,1-2H3,(H,22,23)/b21-18-.
What are the key properties of 3-(2,5-dimethoxyphenyl)-4-(furan-2-yl)-6-imino-4,5-dihydro-2H-pyrano[2,3-c]pyrazole-5-carbonitrile?
3-(2,5-dimethoxyphenyl)-4-(furan-2-yl)-6-imino-4,5-dihydro-2H-pyrano[2,3-c]pyrazole-5-carbonitrile has a molecular weight of 364.36 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethoxyphenyl)-4-(furan-2-yl)-6-imino-4,5-dihydro-2H-pyrano[2,3-c]pyrazole-5-carbonitrile is sourced from PubChem (CID 91897939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).