5-[(2,4-dimethylphenoxy)methyl]-N-[(Z)-(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]furan-2-carboxamide

C20H21FN4O3 — CID 124842745

IUPAC5-[(2,4-dimethylphenoxy)methyl]-N-[(Z)-(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]furan-2-carboxamide
SMILESCc1ccc(OCc2ccc(C(=O)N/N=C\c3c(C)nn(C)c3F)o2)c(C)c1
InChIInChI=1S/C20H21FN4O3/c1-12-5-7-17(13(2)9-12)27-11-15-6-8-18(28-15)20(26)23-22-10-16-14(3)24-25(4)19(16)21/h5-10H,11H2,1-4H3,(H,23,26)/b22-10-
InChIKeyCQGDQCPKEWRJRA-YVNNLAQVSA-N
MW384.41 g/mol
LogP3.42
Rot. Bonds6

About 5-[(2,4-dimethylphenoxy)methyl]-N-[(Z)-(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]furan-2-carboxamide

5-[(2,4-dimethylphenoxy)methyl]-N-[(Z)-(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]furan-2-carboxamide (PubChem CID 124842745) has the molecular formula C20H21FN4O3 and a molecular weight of 384.41 g/mol. Its IUPAC name is 5-[(2,4-dimethylphenoxy)methyl]-N-[(Z)-(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]furan-2-carboxamide.

Molecular Properties

Compound Name5-[(2,4-dimethylphenoxy)methyl]-N-[(Z)-(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]furan-2-carboxamide
PubChem CID124842745
Molecular FormulaC20H21FN4O3
Molecular Weight384.41 g/mol
Exact Mass384.16
IUPAC Name5-[(2,4-dimethylphenoxy)methyl]-N-[(Z)-(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]furan-2-carboxamide
SMILESCc1ccc(OCc2ccc(C(=O)N/N=C\c3c(C)nn(C)c3F)o2)c(C)c1
InChIInChI=1S/C20H21FN4O3/c1-12-5-7-17(13(2)9-12)27-11-15-6-8-18(28-15)20(26)23-22-10-16-14(3)24-25(4)19(16)21/h5-10H,11H2,1-4H3,(H,23,26)/b22-10-
InChIKeyCQGDQCPKEWRJRA-YVNNLAQVSA-N
XLogP3.42
TPSA81.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.41
LogP ≤ 53.42
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

5-[(2,4-dimethylphenoxy)methyl]-N-[(E)-(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]furan-2-carboxamide
CID 119055968
5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]furan-2-carboxamide
CID 171130993
5-[(2,4-dimethylphenoxy)methyl]-N-(2,5-dimethylpyrazol-3-yl)furan-2-carboxamide
CID 47070392
5-[(2,5-dimethylphenoxy)methyl]-N-(1,3,5-trimethylpyrazol-4-yl)furan-2-carboxamide
CID 19393388
5-[(2,4-dimethylphenoxy)methyl]-N-(5-fluoro-2-pyridinyl)furan-2-carboxamide
CID 52886151
5-[(2,4-dimethylphenoxy)methyl]-N-(1-methylpyrazol-4-yl)furan-2-carboxamide
CID 60566843
5-[(4-chloro-2-methylphenoxy)methyl]-N-(1,3,5-trimethylpyrazol-4-yl)furan-2-carboxamide
CID 19393497
N-(1-amino-1-oxopropan-2-yl)-5-[(2,4-dimethylphenoxy)methyl]furan-2-carboxamide
CID 47069838
(2R)-2-[[5-[(2,4-dimethylphenoxy)methyl]furan-2-carbonyl]amino]propanoic acid
CID 119244528
5-[(2,4-dimethylphenoxy)methyl]-N-(2-hydroxypropyl)furan-2-carboxamide
CID 110902991
2-[[5-[(2,4-dimethylphenoxy)methyl]furan-2-carbonyl]amino]propanediamide
CID 56798552
5-[(2,4-dimethylphenoxy)methyl]-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]furan-2-carboxamide
CID 139012930

Frequently Asked Questions

What is the IUPAC name of 5-[(2,4-dimethylphenoxy)methyl]-N-[(Z)-(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]furan-2-carboxamide?
The IUPAC name of 5-[(2,4-dimethylphenoxy)methyl]-N-[(Z)-(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]furan-2-carboxamide (CID 124842745) is 5-[(2,4-dimethylphenoxy)methyl]-N-[(Z)-(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]furan-2-carboxamide.
What is the SMILES notation for 5-[(2,4-dimethylphenoxy)methyl]-N-[(Z)-(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]furan-2-carboxamide?
The canonical SMILES for 5-[(2,4-dimethylphenoxy)methyl]-N-[(Z)-(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]furan-2-carboxamide is Cc1ccc(OCc2ccc(C(=O)N/N=C\c3c(C)nn(C)c3F)o2)c(C)c1.
What is the InChIKey of 5-[(2,4-dimethylphenoxy)methyl]-N-[(Z)-(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]furan-2-carboxamide?
The InChIKey is CQGDQCPKEWRJRA-YVNNLAQVSA-N. The full InChI is InChI=1S/C20H21FN4O3/c1-12-5-7-17(13(2)9-12)27-11-15-6-8-18(28-15)20(26)23-22-10-16-14(3)24-25(4)19(16)21/h5-10H,11H2,1-4H3,(H,23,26)/b22-10-.
What are the key properties of 5-[(2,4-dimethylphenoxy)methyl]-N-[(Z)-(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]furan-2-carboxamide?
5-[(2,4-dimethylphenoxy)methyl]-N-[(Z)-(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]furan-2-carboxamide has a molecular weight of 384.41 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,4-dimethylphenoxy)methyl]-N-[(Z)-(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]furan-2-carboxamide is sourced from PubChem (CID 124842745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).