N'-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoyl]-4-fluorobenzohydrazide

C19H25FN4O2 — CID 46664095

IUPACN'-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoyl]-4-fluorobenzohydrazide
SMILESCc1nn(CC(C)C)c(C)c1CCC(=O)NNC(=O)c1ccc(F)cc1
InChIInChI=1S/C19H25FN4O2/c1-12(2)11-24-14(4)17(13(3)23-24)9-10-18(25)21-22-19(26)15-5-7-16(20)8-6-15/h5-8,12H,9-11H2,1-4H3,(H,21,25)(H,22,26)
InChIKeyLNTDJSYZEUSHPG-UHFFFAOYSA-N
MW360.43 g/mol
LogP2.69
Rot. Bonds6

About N'-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoyl]-4-fluorobenzohydrazide

N'-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoyl]-4-fluorobenzohydrazide (PubChem CID 46664095) has the molecular formula C19H25FN4O2 and a molecular weight of 360.43 g/mol. Its IUPAC name is N'-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoyl]-4-fluorobenzohydrazide.

Molecular Properties

Compound NameN'-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoyl]-4-fluorobenzohydrazide
PubChem CID46664095
Molecular FormulaC19H25FN4O2
Molecular Weight360.43 g/mol
Exact Mass360.20
IUPAC NameN'-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoyl]-4-fluorobenzohydrazide
SMILESCc1nn(CC(C)C)c(C)c1CCC(=O)NNC(=O)c1ccc(F)cc1
InChIInChI=1S/C19H25FN4O2/c1-12(2)11-24-14(4)17(13(3)23-24)9-10-18(25)21-22-19(26)15-5-7-16(20)8-6-15/h5-8,12H,9-11H2,1-4H3,(H,21,25)(H,22,26)
InChIKeyLNTDJSYZEUSHPG-UHFFFAOYSA-N
XLogP2.69
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.43
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N'-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoyl]-4-fluorobenzohydrazide 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

N'-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoyl]-4-ethoxybenzohydrazide
CID 9086483
N'-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoyl]-1,3-diphenylpyrazole-4-carbohydrazide
CID 46651465
3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 39978444
N-(3-amino-3-oxopropyl)-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(4-fluorophenyl)propanamide
CID 134016225
N-(3-chloro-4-fluorophenyl)-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanamide
CID 9077447
N-(3-acetamido-2-methylphenyl)-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanamide
CID 37067897
N-[2-(difluoromethoxy)phenyl]-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanamide
CID 37314274
3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]propanamide
CID 55811715
N-[3-[[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoylamino]methyl]phenyl]-4-methylbenzamide
CID 52702467
3-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoylamino]benzamide
CID 51237592
N-(5-amino-2-methylphenyl)-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanamide;hydrochloride
CID 120568461
3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
CID 31265452

Frequently Asked Questions

What is the IUPAC name of N'-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoyl]-4-fluorobenzohydrazide?
The IUPAC name of N'-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoyl]-4-fluorobenzohydrazide (CID 46664095) is N'-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoyl]-4-fluorobenzohydrazide.
What is the SMILES notation for N'-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoyl]-4-fluorobenzohydrazide?
The canonical SMILES for N'-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoyl]-4-fluorobenzohydrazide is Cc1nn(CC(C)C)c(C)c1CCC(=O)NNC(=O)c1ccc(F)cc1.
What is the InChIKey of N'-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoyl]-4-fluorobenzohydrazide?
The InChIKey is LNTDJSYZEUSHPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN4O2/c1-12(2)11-24-14(4)17(13(3)23-24)9-10-18(25)21-22-19(26)15-5-7-16(20)8-6-15/h5-8,12H,9-11H2,1-4H3,(H,21,25)(H,22,26).
What are the key properties of N'-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoyl]-4-fluorobenzohydrazide?
N'-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoyl]-4-fluorobenzohydrazide has a molecular weight of 360.43 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoyl]-4-fluorobenzohydrazide is sourced from PubChem (CID 46664095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).