N'-[2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]acetyl]-2-(4-fluorophenoxy)propanehydrazide

C23H24ClFN4O3 — CID 55788841

IUPACN'-[2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]acetyl]-2-(4-fluorophenoxy)propanehydrazide
SMILESCc1ccc(-n2nc(C)c(CC(=O)NNC(=O)C(C)Oc3ccc(F)cc3)c2C)cc1Cl
InChIInChI=1S/C23H24ClFN4O3/c1-13-5-8-18(11-21(13)24)29-15(3)20(14(2)28-29)12-22(30)26-27-23(31)16(4)32-19-9-6-17(25)7-10-19/h5-11,16H,12H2,1-4H3,(H,26,30)(H,27,31)
InChIKeyNLKZJHWUPJNVMS-UHFFFAOYSA-N
MW458.92 g/mol
LogP3.75
Rot. Bonds6

About N'-[2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]acetyl]-2-(4-fluorophenoxy)propanehydrazide

N'-[2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]acetyl]-2-(4-fluorophenoxy)propanehydrazide (PubChem CID 55788841) has the molecular formula C23H24ClFN4O3 and a molecular weight of 458.92 g/mol. Its IUPAC name is N'-[2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]acetyl]-2-(4-fluorophenoxy)propanehydrazide.

Molecular Properties

Compound NameN'-[2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]acetyl]-2-(4-fluorophenoxy)propanehydrazide
PubChem CID55788841
Molecular FormulaC23H24ClFN4O3
Molecular Weight458.92 g/mol
Exact Mass458.15
IUPAC NameN'-[2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]acetyl]-2-(4-fluorophenoxy)propanehydrazide
SMILESCc1ccc(-n2nc(C)c(CC(=O)NNC(=O)C(C)Oc3ccc(F)cc3)c2C)cc1Cl
InChIInChI=1S/C23H24ClFN4O3/c1-13-5-8-18(11-21(13)24)29-15(3)20(14(2)28-29)12-22(30)26-27-23(31)16(4)32-19-9-6-17(25)7-10-19/h5-11,16H,12H2,1-4H3,(H,26,30)(H,27,31)
InChIKeyNLKZJHWUPJNVMS-UHFFFAOYSA-N
XLogP3.75
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.92
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(4-fluorophenoxy)-N'-[2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]propanehydrazide
CID 51959268
methyl 3-[[2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-3-(4-fluorophenyl)propanoate
CID 55995945
N'-[2-(2-chloro-6-fluorophenyl)acetyl]-2-(4-fluorophenoxy)propanehydrazide
CID 4820851
N-[2-[[2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]ethyl]-2-methylpropanamide
CID 47044914
methyl 3-[[2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-3-(4-fluorophenyl)propanoate
CID 55995817
4-(4-bromo-3,5-dimethylpyrazol-1-yl)-N'-[2-(4-fluorophenoxy)propanoyl]benzohydrazide
CID 46407895
N'-[2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]acetyl]-2-naphthalen-2-yloxypropanehydrazide
CID 55581049
2-[[2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]propanoic acid
CID 119225822
2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(1-hydroxypropan-2-yl)acetamide
CID 78884101
3-[[2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]butanoic acid
CID 119220770
N-[[4-(difluoromethoxy)phenyl]methyl]-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 55756579
2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[2-(4-fluorophenoxy)ethyl]acetamide
CID 55760355

Frequently Asked Questions

What is the IUPAC name of N'-[2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]acetyl]-2-(4-fluorophenoxy)propanehydrazide?
The IUPAC name of N'-[2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]acetyl]-2-(4-fluorophenoxy)propanehydrazide (CID 55788841) is N'-[2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]acetyl]-2-(4-fluorophenoxy)propanehydrazide.
What is the SMILES notation for N'-[2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]acetyl]-2-(4-fluorophenoxy)propanehydrazide?
The canonical SMILES for N'-[2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]acetyl]-2-(4-fluorophenoxy)propanehydrazide is Cc1ccc(-n2nc(C)c(CC(=O)NNC(=O)C(C)Oc3ccc(F)cc3)c2C)cc1Cl.
What is the InChIKey of N'-[2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]acetyl]-2-(4-fluorophenoxy)propanehydrazide?
The InChIKey is NLKZJHWUPJNVMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClFN4O3/c1-13-5-8-18(11-21(13)24)29-15(3)20(14(2)28-29)12-22(30)26-27-23(31)16(4)32-19-9-6-17(25)7-10-19/h5-11,16H,12H2,1-4H3,(H,26,30)(H,27,31).
What are the key properties of N'-[2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]acetyl]-2-(4-fluorophenoxy)propanehydrazide?
N'-[2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]acetyl]-2-(4-fluorophenoxy)propanehydrazide has a molecular weight of 458.92 g/mol, XLogP of 3.75, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]acetyl]-2-(4-fluorophenoxy)propanehydrazide is sourced from PubChem (CID 55788841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).