N-[(E)-[3-[(3,5-dimethylpyrazol-1-yl)methyl]-4-methoxyphenyl]methylideneamino]furan-2-carboxamide

C19H20N4O3 — CID 6873438

IUPACN-[(E)-[3-[(3,5-dimethylpyrazol-1-yl)methyl]-4-methoxyphenyl]methylideneamino]furan-2-carboxamide
SMILESCOc1ccc(/C=N/NC(=O)c2ccco2)cc1Cn1nc(C)cc1C
InChIInChI=1S/C19H20N4O3/c1-13-9-14(2)23(22-13)12-16-10-15(6-7-17(16)25-3)11-20-21-19(24)18-5-4-8-26-18/h4-11H,12H2,1-3H3,(H,21,24)/b20-11+
InChIKeyCDIFINQQVVNSBJ-RGVLZGJSSA-N
MW352.39 g/mol
LogP2.91
Rot. Bonds6

About N-[(E)-[3-[(3,5-dimethylpyrazol-1-yl)methyl]-4-methoxyphenyl]methylideneamino]furan-2-carboxamide

N-[(E)-[3-[(3,5-dimethylpyrazol-1-yl)methyl]-4-methoxyphenyl]methylideneamino]furan-2-carboxamide (PubChem CID 6873438) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is N-[(E)-[3-[(3,5-dimethylpyrazol-1-yl)methyl]-4-methoxyphenyl]methylideneamino]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-[3-[(3,5-dimethylpyrazol-1-yl)methyl]-4-methoxyphenyl]methylideneamino]furan-2-carboxamide
PubChem CID6873438
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC NameN-[(E)-[3-[(3,5-dimethylpyrazol-1-yl)methyl]-4-methoxyphenyl]methylideneamino]furan-2-carboxamide
SMILESCOc1ccc(/C=N/NC(=O)c2ccco2)cc1Cn1nc(C)cc1C
InChIInChI=1S/C19H20N4O3/c1-13-9-14(2)23(22-13)12-16-10-15(6-7-17(16)25-3)11-20-21-19(24)18-5-4-8-26-18/h4-11H,12H2,1-3H3,(H,21,24)/b20-11+
InChIKeyCDIFINQQVVNSBJ-RGVLZGJSSA-N
XLogP2.91
TPSA81.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(2-chlorophenoxy)-N-[(Z)-[3-[(3,5-dimethylpyrazol-1-yl)methyl]-4-methoxyphenyl]methylideneamino]acetamide
CID 5431797
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
CID 135716114
N-[(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]furan-2-carboxamide
CID 1389238
3-[(3,5-dimethylpyrazol-1-yl)methyl]-4-methoxybenzaldehyde
CID 708263
N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]furan-2-carboxamide
CID 135642156
N-[(E)-[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylideneamino]furan-2-carboxamide
CID 21370277
2-(3,5-dimethylpyrazol-1-yl)-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 136663517
methyl 4-[[4-[(Z)-(furan-2-carbonylhydrazinylidene)methyl]-2-methoxyphenoxy]methyl]benzoate
CID 9175476
N-[(E)-[3-methoxy-4-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]furan-2-carboxamide
CID 126023583
N-[(E)-(3-ethoxy-4-propoxyphenyl)methylideneamino]furan-2-carboxamide
CID 94833642
N-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]furan-2-carboxamide
CID 7231244
N-[(Z)-[3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-4-methoxyphenyl]methylideneamino]-2-hydroxybenzamide
CID 5454100

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[3-[(3,5-dimethylpyrazol-1-yl)methyl]-4-methoxyphenyl]methylideneamino]furan-2-carboxamide?
The IUPAC name of N-[(E)-[3-[(3,5-dimethylpyrazol-1-yl)methyl]-4-methoxyphenyl]methylideneamino]furan-2-carboxamide (CID 6873438) is N-[(E)-[3-[(3,5-dimethylpyrazol-1-yl)methyl]-4-methoxyphenyl]methylideneamino]furan-2-carboxamide.
What is the SMILES notation for N-[(E)-[3-[(3,5-dimethylpyrazol-1-yl)methyl]-4-methoxyphenyl]methylideneamino]furan-2-carboxamide?
The canonical SMILES for N-[(E)-[3-[(3,5-dimethylpyrazol-1-yl)methyl]-4-methoxyphenyl]methylideneamino]furan-2-carboxamide is COc1ccc(/C=N/NC(=O)c2ccco2)cc1Cn1nc(C)cc1C.
What is the InChIKey of N-[(E)-[3-[(3,5-dimethylpyrazol-1-yl)methyl]-4-methoxyphenyl]methylideneamino]furan-2-carboxamide?
The InChIKey is CDIFINQQVVNSBJ-RGVLZGJSSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-13-9-14(2)23(22-13)12-16-10-15(6-7-17(16)25-3)11-20-21-19(24)18-5-4-8-26-18/h4-11H,12H2,1-3H3,(H,21,24)/b20-11+.
What are the key properties of N-[(E)-[3-[(3,5-dimethylpyrazol-1-yl)methyl]-4-methoxyphenyl]methylideneamino]furan-2-carboxamide?
N-[(E)-[3-[(3,5-dimethylpyrazol-1-yl)methyl]-4-methoxyphenyl]methylideneamino]furan-2-carboxamide has a molecular weight of 352.39 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[3-[(3,5-dimethylpyrazol-1-yl)methyl]-4-methoxyphenyl]methylideneamino]furan-2-carboxamide is sourced from PubChem (CID 6873438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).