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

C18H16ClFN4O2 — CID 1009184

IUPAC5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[(2-fluorophenyl)methylideneamino]furan-2-carboxamide
SMILESCc1nn(Cc2ccc(C(=O)NN=Cc3ccccc3F)o2)c(C)c1Cl
InChIInChI=1S/C18H16ClFN4O2/c1-11-17(19)12(2)24(23-11)10-14-7-8-16(26-14)18(25)22-21-9-13-5-3-4-6-15(13)20/h3-9H,10H2,1-2H3,(H,22,25)
InChIKeyZKFQFLKKBRBYIN-UHFFFAOYSA-N
MW374.80 g/mol
LogP3.70
Rot. Bonds5

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

5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[(2-fluorophenyl)methylideneamino]furan-2-carboxamide (PubChem CID 1009184) has the molecular formula C18H16ClFN4O2 and a molecular weight of 374.80 g/mol. Its IUPAC name is 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[(2-fluorophenyl)methylideneamino]furan-2-carboxamide.

Molecular Properties

Compound Name5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[(2-fluorophenyl)methylideneamino]furan-2-carboxamide
PubChem CID1009184
Molecular FormulaC18H16ClFN4O2
Molecular Weight374.80 g/mol
Exact Mass374.09
IUPAC Name5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[(2-fluorophenyl)methylideneamino]furan-2-carboxamide
SMILESCc1nn(Cc2ccc(C(=O)NN=Cc3ccccc3F)o2)c(C)c1Cl
InChIInChI=1S/C18H16ClFN4O2/c1-11-17(19)12(2)24(23-11)10-14-7-8-16(26-14)18(25)22-21-9-13-5-3-4-6-15(13)20/h3-9H,10H2,1-2H3,(H,22,25)
InChIKeyZKFQFLKKBRBYIN-UHFFFAOYSA-N
XLogP3.70
TPSA72.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.80
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(pyridin-4-ylmethylideneamino)furan-2-carboxamide
CID 1225373
5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-phenylfuran-2-carboxamide
CID 19448398
5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]furan-2-carboxamide
CID 19448414
5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(3-ethoxypropyl)furan-2-carboxamide
CID 19448582
5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(2,5-dimethylphenyl)furan-2-carboxamide
CID 1019574
5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(1-methylbenzimidazol-2-yl)furan-2-carboxamide
CID 19448372
N-[(E)-(2-methylphenyl)methylideneamino]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 6873458
5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(1-ethylbenzimidazol-2-yl)furan-2-carboxamide
CID 19579294
5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[4-(2-nitrophenyl)phenyl]furan-2-carboxamide
CID 19617378
5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[(3,5-dimethoxyphenyl)methyl]furan-2-carboxamide
CID 1091794
5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]furan-2-carboxamide
CID 171130993
propyl 4-[[5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]furan-2-carbonyl]amino]benzoate
CID 3367349

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[(2-fluorophenyl)methylideneamino]furan-2-carboxamide?
The IUPAC name of 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[(2-fluorophenyl)methylideneamino]furan-2-carboxamide (CID 1009184) is 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[(2-fluorophenyl)methylideneamino]furan-2-carboxamide.
What is the SMILES notation for 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[(2-fluorophenyl)methylideneamino]furan-2-carboxamide?
The canonical SMILES for 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[(2-fluorophenyl)methylideneamino]furan-2-carboxamide is Cc1nn(Cc2ccc(C(=O)NN=Cc3ccccc3F)o2)c(C)c1Cl.
What is the InChIKey of 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[(2-fluorophenyl)methylideneamino]furan-2-carboxamide?
The InChIKey is ZKFQFLKKBRBYIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClFN4O2/c1-11-17(19)12(2)24(23-11)10-14-7-8-16(26-14)18(25)22-21-9-13-5-3-4-6-15(13)20/h3-9H,10H2,1-2H3,(H,22,25).
What are the key properties of 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[(2-fluorophenyl)methylideneamino]furan-2-carboxamide?
5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[(2-fluorophenyl)methylideneamino]furan-2-carboxamide has a molecular weight of 374.80 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[(2-fluorophenyl)methylideneamino]furan-2-carboxamide is sourced from PubChem (CID 1009184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).