N-[(Z)-(5-fluorothiophen-2-yl)methylideneamino]-2-(5-methyl-3-nitropyrazol-1-yl)acetamide

C11H10FN5O3S — CID 124848723

IUPACN-[(Z)-(5-fluorothiophen-2-yl)methylideneamino]-2-(5-methyl-3-nitropyrazol-1-yl)acetamide
SMILESCc1cc([N+](=O)[O-])nn1CC(=O)N/N=C\c1ccc(F)s1
InChIInChI=1S/C11H10FN5O3S/c1-7-4-10(17(19)20)15-16(7)6-11(18)14-13-5-8-2-3-9(12)21-8/h2-5H,6H2,1H3,(H,14,18)/b13-5-
InChIKeyNHOLEYWGZPDYOE-ACAGNQJTSA-N
MW311.30 g/mol
LogP1.45
Rot. Bonds5

About N-[(Z)-(5-fluorothiophen-2-yl)methylideneamino]-2-(5-methyl-3-nitropyrazol-1-yl)acetamide

N-[(Z)-(5-fluorothiophen-2-yl)methylideneamino]-2-(5-methyl-3-nitropyrazol-1-yl)acetamide (PubChem CID 124848723) has the molecular formula C11H10FN5O3S and a molecular weight of 311.30 g/mol. Its IUPAC name is N-[(Z)-(5-fluorothiophen-2-yl)methylideneamino]-2-(5-methyl-3-nitropyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(Z)-(5-fluorothiophen-2-yl)methylideneamino]-2-(5-methyl-3-nitropyrazol-1-yl)acetamide
PubChem CID124848723
Molecular FormulaC11H10FN5O3S
Molecular Weight311.30 g/mol
Exact Mass311.05
IUPAC NameN-[(Z)-(5-fluorothiophen-2-yl)methylideneamino]-2-(5-methyl-3-nitropyrazol-1-yl)acetamide
SMILESCc1cc([N+](=O)[O-])nn1CC(=O)N/N=C\c1ccc(F)s1
InChIInChI=1S/C11H10FN5O3S/c1-7-4-10(17(19)20)15-16(7)6-11(18)14-13-5-8-2-3-9(12)21-8/h2-5H,6H2,1H3,(H,14,18)/b13-5-
InChIKeyNHOLEYWGZPDYOE-ACAGNQJTSA-N
XLogP1.45
TPSA102.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.30
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[(Z)-(5-fluorothiophen-2-yl)methylideneamino]-2-(5-methyl-3-nitropyrazol-1-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[(5-fluorothiophen-2-yl)methylideneamino]propanamide
CID 171130806
2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(5-fluorothiophen-2-yl)methylideneamino]acetamide
CID 171130860
N-[(E)-(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]-3-(5-methyl-3-nitropyrazol-1-yl)propanamide
CID 119055877
N-[(5-fluorothiophen-2-yl)methylideneamino]-2-(4-methylpyrazol-1-yl)acetamide
CID 171130709
3-(5-methyl-3-nitropyrazol-1-yl)-N-[(Z)-pyridin-4-ylmethylideneamino]propanamide
CID 6210816
N-(4-acetylphenyl)-2-(5-methyl-3-nitropyrazol-1-yl)acetamide
CID 19521235
N-[[3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-4-methoxyphenyl]methylideneamino]-2-(5-methyl-3-nitropyrazol-1-yl)acetamide
CID 3537436
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(5-methyl-3-nitropyrazol-1-yl)acetamide
CID 100648201
2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(Z)-(5-fluorothiophen-2-yl)methylideneamino]acetamide
CID 124849150
N-[1-(1,3-dioxoisoindol-2-yl)propan-2-ylideneamino]-2-(5-methyl-3-nitropyrazol-1-yl)acetamide
CID 5195767
methyl 2,2-dimethyl-4-(5-methyl-3-nitropyrazol-1-yl)-3-oxobutanoate
CID 112752323
N-[(E)-(2-chlorophenyl)methylideneamino]-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 6886093

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(5-fluorothiophen-2-yl)methylideneamino]-2-(5-methyl-3-nitropyrazol-1-yl)acetamide?
The IUPAC name of N-[(Z)-(5-fluorothiophen-2-yl)methylideneamino]-2-(5-methyl-3-nitropyrazol-1-yl)acetamide (CID 124848723) is N-[(Z)-(5-fluorothiophen-2-yl)methylideneamino]-2-(5-methyl-3-nitropyrazol-1-yl)acetamide.
What is the SMILES notation for N-[(Z)-(5-fluorothiophen-2-yl)methylideneamino]-2-(5-methyl-3-nitropyrazol-1-yl)acetamide?
The canonical SMILES for N-[(Z)-(5-fluorothiophen-2-yl)methylideneamino]-2-(5-methyl-3-nitropyrazol-1-yl)acetamide is Cc1cc([N+](=O)[O-])nn1CC(=O)N/N=C\c1ccc(F)s1.
What is the InChIKey of N-[(Z)-(5-fluorothiophen-2-yl)methylideneamino]-2-(5-methyl-3-nitropyrazol-1-yl)acetamide?
The InChIKey is NHOLEYWGZPDYOE-ACAGNQJTSA-N. The full InChI is InChI=1S/C11H10FN5O3S/c1-7-4-10(17(19)20)15-16(7)6-11(18)14-13-5-8-2-3-9(12)21-8/h2-5H,6H2,1H3,(H,14,18)/b13-5-.
What are the key properties of N-[(Z)-(5-fluorothiophen-2-yl)methylideneamino]-2-(5-methyl-3-nitropyrazol-1-yl)acetamide?
N-[(Z)-(5-fluorothiophen-2-yl)methylideneamino]-2-(5-methyl-3-nitropyrazol-1-yl)acetamide has a molecular weight of 311.30 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(5-fluorothiophen-2-yl)methylideneamino]-2-(5-methyl-3-nitropyrazol-1-yl)acetamide is sourced from PubChem (CID 124848723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).