N-[(Z)-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methylideneamino]-2-methylfuran-3-carboxamide

C18H17FN4O2 — CID 9231297

IUPACN-[(Z)-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methylideneamino]-2-methylfuran-3-carboxamide
SMILESCc1nn(-c2ccc(F)cc2)c(C)c1/C=N\NC(=O)c1ccoc1C
InChIInChI=1S/C18H17FN4O2/c1-11-17(10-20-21-18(24)16-8-9-25-13(16)3)12(2)23(22-11)15-6-4-14(19)5-7-15/h4-10H,1-3H3,(H,21,24)/b20-10-
InChIKeyYCTLJUBJGOKVNK-JMIUGGIZSA-N
MW340.36 g/mol
LogP3.29
Rot. Bonds4

About N-[(Z)-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methylideneamino]-2-methylfuran-3-carboxamide

N-[(Z)-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methylideneamino]-2-methylfuran-3-carboxamide (PubChem CID 9231297) has the molecular formula C18H17FN4O2 and a molecular weight of 340.36 g/mol. Its IUPAC name is N-[(Z)-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methylideneamino]-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[(Z)-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methylideneamino]-2-methylfuran-3-carboxamide
PubChem CID9231297
Molecular FormulaC18H17FN4O2
Molecular Weight340.36 g/mol
Exact Mass340.13
IUPAC NameN-[(Z)-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methylideneamino]-2-methylfuran-3-carboxamide
SMILESCc1nn(-c2ccc(F)cc2)c(C)c1/C=N\NC(=O)c1ccoc1C
InChIInChI=1S/C18H17FN4O2/c1-11-17(10-20-21-18(24)16-8-9-25-13(16)3)12(2)23(22-11)15-6-4-14(19)5-7-15/h4-10H,1-3H3,(H,21,24)/b20-10-
InChIKeyYCTLJUBJGOKVNK-JMIUGGIZSA-N
XLogP3.29
TPSA72.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 53.29
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

N-(4-{N-[(4-bromo-1,5-dimethyl-1H-pyrazol-3-yl)carbonyl]ethanehydrazonoyl}phenyl)-2-methyl-3-furamide
CID 5433092
N'-[(E)-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methylidene]-2-methylfuran-3-carbohydrazide
CID 6885163
Furan-3-carbohydrazide, 2-methyl-N2-(3,5-dimethyl-1-pentylpyrazol-4-yl)methylene-
CID 9593094
N-(3-{N-[(4-bromo-1,5-dimethyl-1H-pyrazol-3-yl)carbonyl]ethanehydrazonoyl}phenyl)-2-methyl-3-furamide
CID 9617778
2-methyl-N-[3-(pyrazol-1-ylmethyl)phenyl]furan-3-carboxamide
CID 1244259
2-{3,4-Dimethyl-7-oxo-2-phenyl-2H,6H,7H-pyrazolo[3,4-D]pyridazin-6-YL}-N-[2-(furan-2-YL)ethyl]propanamide
CID 20919735
1-(2,5-dimethyl-3-furoyl)-N-[4-(3,5-dimethyl-1H-pyrazol-1-yl)phenyl]-2-piperidinecarboxamide
CID 24791263
N-[4-(3,5-dimethyl-1H-pyrazol-1-yl)phenyl]-1-(2-methyl-3-furoyl)-2-piperidinecarboxamide
CID 24816693
N'-[(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylene]-2-methyl-3-furohydrazide
CID 135401424
N-[(E)-(1,5-dimethylpyrazol-4-yl)methylideneamino]-2-methylfuran-3-carboxamide
CID 5412168
N-[(Z)-(3,5-dimethyl-1-pentylpyrazol-4-yl)methylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 5976730
N'-[(E)-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylidene]-2,5-dimethylfuran-3-carbohydrazide
CID 6861731

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methylideneamino]-2-methylfuran-3-carboxamide?
The IUPAC name of N-[(Z)-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methylideneamino]-2-methylfuran-3-carboxamide (CID 9231297) is N-[(Z)-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methylideneamino]-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-[(Z)-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methylideneamino]-2-methylfuran-3-carboxamide?
The canonical SMILES for N-[(Z)-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methylideneamino]-2-methylfuran-3-carboxamide is Cc1nn(-c2ccc(F)cc2)c(C)c1/C=N\NC(=O)c1ccoc1C.
What is the InChIKey of N-[(Z)-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methylideneamino]-2-methylfuran-3-carboxamide?
The InChIKey is YCTLJUBJGOKVNK-JMIUGGIZSA-N. The full InChI is InChI=1S/C18H17FN4O2/c1-11-17(10-20-21-18(24)16-8-9-25-13(16)3)12(2)23(22-11)15-6-4-14(19)5-7-15/h4-10H,1-3H3,(H,21,24)/b20-10-.
What are the key properties of N-[(Z)-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methylideneamino]-2-methylfuran-3-carboxamide?
N-[(Z)-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methylideneamino]-2-methylfuran-3-carboxamide has a molecular weight of 340.36 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methylideneamino]-2-methylfuran-3-carboxamide is sourced from PubChem (CID 9231297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).