N-[(Z)-(1-ethylpyrazol-4-yl)methylideneamino]-4-fluorobenzamide

C13H13FN4O — CID 5410782

IUPACN-[(Z)-(1-ethylpyrazol-4-yl)methylideneamino]-4-fluorobenzamide
SMILESCCn1cc(/C=N\NC(=O)c2ccc(F)cc2)cn1
InChIInChI=1S/C13H13FN4O/c1-2-18-9-10(8-16-18)7-15-17-13(19)11-3-5-12(14)6-4-11/h3-9H,2H2,1H3,(H,17,19)/b15-7-
InChIKeyWWFLKMBHHGEHKV-CHHVJCJISA-N
MW260.27 g/mol
LogP1.81
Rot. Bonds4

About N-[(Z)-(1-ethylpyrazol-4-yl)methylideneamino]-4-fluorobenzamide

N-[(Z)-(1-ethylpyrazol-4-yl)methylideneamino]-4-fluorobenzamide (PubChem CID 5410782) has the molecular formula C13H13FN4O and a molecular weight of 260.27 g/mol. Its IUPAC name is N-[(Z)-(1-ethylpyrazol-4-yl)methylideneamino]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[(Z)-(1-ethylpyrazol-4-yl)methylideneamino]-4-fluorobenzamide
PubChem CID5410782
Molecular FormulaC13H13FN4O
Molecular Weight260.27 g/mol
Exact Mass260.11
IUPAC NameN-[(Z)-(1-ethylpyrazol-4-yl)methylideneamino]-4-fluorobenzamide
SMILESCCn1cc(/C=N\NC(=O)c2ccc(F)cc2)cn1
InChIInChI=1S/C13H13FN4O/c1-2-18-9-10(8-16-18)7-15-17-13(19)11-3-5-12(14)6-4-11/h3-9H,2H2,1H3,(H,17,19)/b15-7-
InChIKeyWWFLKMBHHGEHKV-CHHVJCJISA-N
XLogP1.81
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

Pyrazole, 4-chloro-1-(2-methylbenzoyl)-
CID 577102
4-chloro-1-(4-fluorobenzoyl)-1H-pyrazole
CID 674652
4-bromo-1-[(3-methylphenyl)carbonyl]-1H-pyrazole
CID 674653
N-(4-fluorobenzyl)-1-methyl-1H-pyrazole-4-carboxamide
CID 1502164
1-Phenyl-2-(1H-pyrazol-1-yl)ethanone
CID 2766375
4-bromo-1-[(2-methylphenyl)carbonyl]-1H-pyrazole
CID 674650
4-bromo-1-[(4-methylphenyl)carbonyl]-1H-pyrazole
CID 674656
(1H-pyrazol-1-yl)(o-tolyl)methanone
CID 685230
4-[(3-amino-4-bromo-1H-pyrazol-1-yl)methyl]benzohydrazide
CID 919980
1-methyl-N'-(4-methylbenzoyl)-3-(trifluoromethyl)-1H-pyrazole-4-carbohydrazide
CID 1488097
4-[(4-Chloro-1H-pyrazol-1-yl)methyl]benzohydrazide
CID 612918
4-((1H-pyrazol-1-yl)methyl)-N-hydroxybenzamide
CID 60164723

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(1-ethylpyrazol-4-yl)methylideneamino]-4-fluorobenzamide?
The IUPAC name of N-[(Z)-(1-ethylpyrazol-4-yl)methylideneamino]-4-fluorobenzamide (CID 5410782) is N-[(Z)-(1-ethylpyrazol-4-yl)methylideneamino]-4-fluorobenzamide.
What is the SMILES notation for N-[(Z)-(1-ethylpyrazol-4-yl)methylideneamino]-4-fluorobenzamide?
The canonical SMILES for N-[(Z)-(1-ethylpyrazol-4-yl)methylideneamino]-4-fluorobenzamide is CCn1cc(/C=N\NC(=O)c2ccc(F)cc2)cn1.
What is the InChIKey of N-[(Z)-(1-ethylpyrazol-4-yl)methylideneamino]-4-fluorobenzamide?
The InChIKey is WWFLKMBHHGEHKV-CHHVJCJISA-N. The full InChI is InChI=1S/C13H13FN4O/c1-2-18-9-10(8-16-18)7-15-17-13(19)11-3-5-12(14)6-4-11/h3-9H,2H2,1H3,(H,17,19)/b15-7-.
What are the key properties of N-[(Z)-(1-ethylpyrazol-4-yl)methylideneamino]-4-fluorobenzamide?
N-[(Z)-(1-ethylpyrazol-4-yl)methylideneamino]-4-fluorobenzamide has a molecular weight of 260.27 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(1-ethylpyrazol-4-yl)methylideneamino]-4-fluorobenzamide is sourced from PubChem (CID 5410782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).