4-(4-bromo-3,5-dimethylpyrazol-1-yl)-N'-[2-(4-fluorophenoxy)propanoyl]benzohydrazide

C21H20BrFN4O3 — CID 46407895

IUPAC4-(4-bromo-3,5-dimethylpyrazol-1-yl)-N'-[2-(4-fluorophenoxy)propanoyl]benzohydrazide
SMILESCc1nn(-c2ccc(C(=O)NNC(=O)C(C)Oc3ccc(F)cc3)cc2)c(C)c1Br
InChIInChI=1S/C21H20BrFN4O3/c1-12-19(22)13(2)27(26-12)17-8-4-15(5-9-17)21(29)25-24-20(28)14(3)30-18-10-6-16(23)7-11-18/h4-11,14H,1-3H3,(H,24,28)(H,25,29)
InChIKeyQRHRSGVJOCPRLD-UHFFFAOYSA-N
MW475.32 g/mol
LogP3.62
Rot. Bonds5

About 4-(4-bromo-3,5-dimethylpyrazol-1-yl)-N'-[2-(4-fluorophenoxy)propanoyl]benzohydrazide

4-(4-bromo-3,5-dimethylpyrazol-1-yl)-N'-[2-(4-fluorophenoxy)propanoyl]benzohydrazide (PubChem CID 46407895) has the molecular formula C21H20BrFN4O3 and a molecular weight of 475.32 g/mol. Its IUPAC name is 4-(4-bromo-3,5-dimethylpyrazol-1-yl)-N'-[2-(4-fluorophenoxy)propanoyl]benzohydrazide.

Molecular Properties

Compound Name4-(4-bromo-3,5-dimethylpyrazol-1-yl)-N'-[2-(4-fluorophenoxy)propanoyl]benzohydrazide
PubChem CID46407895
Molecular FormulaC21H20BrFN4O3
Molecular Weight475.32 g/mol
Exact Mass474.07
IUPAC Name4-(4-bromo-3,5-dimethylpyrazol-1-yl)-N'-[2-(4-fluorophenoxy)propanoyl]benzohydrazide
SMILESCc1nn(-c2ccc(C(=O)NNC(=O)C(C)Oc3ccc(F)cc3)cc2)c(C)c1Br
InChIInChI=1S/C21H20BrFN4O3/c1-12-19(22)13(2)27(26-12)17-8-4-15(5-9-17)21(29)25-24-20(28)14(3)30-18-10-6-16(23)7-11-18/h4-11,14H,1-3H3,(H,24,28)(H,25,29)
InChIKeyQRHRSGVJOCPRLD-UHFFFAOYSA-N
XLogP3.62
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.32
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-(4-bromo-3,5-dimethylpyrazol-1-yl)-N'-[2-(4-fluorophenoxy)propanoyl]benzohydrazide 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

(2S)-2-(4-fluorophenoxy)-N'-[2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]propanehydrazide
CID 51959268
N'-[(2R)-2-(4-bromophenoxy)propanoyl]-4-fluorobenzohydrazide
CID 9340444
N'-[(2S)-2-(4-fluorophenoxy)propanoyl]-4-propan-2-yloxybenzohydrazide
CID 7965233
N'-[2-(4-fluorophenoxy)propanoyl]-1-(4-fluorophenyl)-5-methylpyrazole-4-carbohydrazide
CID 46584217
N'-[2-(4-fluorophenoxy)propanoyl]-1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carbohydrazide
CID 134014767
4-chloro-N'-[2-(4-fluorophenoxy)propanoyl]benzohydrazide
CID 24638274
N'-[(2S)-2-(4-chlorophenoxy)propanoyl]-4-fluorobenzohydrazide
CID 684854
3,5-difluoro-N'-[2-(4-fluorophenoxy)propanoyl]benzohydrazide
CID 4820872
N'-[2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]acetyl]-2-(4-fluorophenoxy)propanehydrazide
CID 55788841
4-(diethylaminomethyl)-N'-[2-(4-fluorophenoxy)propanoyl]benzohydrazide
CID 43070007
2-bromo-5-fluoro-N'-[(2R)-2-(4-fluorophenoxy)propanoyl]benzohydrazide
CID 9160446
2-(4-acetylphenoxy)-N'-[2-(4-fluorophenoxy)propanoyl]propanehydrazide
CID 24554519

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-3,5-dimethylpyrazol-1-yl)-N'-[2-(4-fluorophenoxy)propanoyl]benzohydrazide?
The IUPAC name of 4-(4-bromo-3,5-dimethylpyrazol-1-yl)-N'-[2-(4-fluorophenoxy)propanoyl]benzohydrazide (CID 46407895) is 4-(4-bromo-3,5-dimethylpyrazol-1-yl)-N'-[2-(4-fluorophenoxy)propanoyl]benzohydrazide.
What is the SMILES notation for 4-(4-bromo-3,5-dimethylpyrazol-1-yl)-N'-[2-(4-fluorophenoxy)propanoyl]benzohydrazide?
The canonical SMILES for 4-(4-bromo-3,5-dimethylpyrazol-1-yl)-N'-[2-(4-fluorophenoxy)propanoyl]benzohydrazide is Cc1nn(-c2ccc(C(=O)NNC(=O)C(C)Oc3ccc(F)cc3)cc2)c(C)c1Br.
What is the InChIKey of 4-(4-bromo-3,5-dimethylpyrazol-1-yl)-N'-[2-(4-fluorophenoxy)propanoyl]benzohydrazide?
The InChIKey is QRHRSGVJOCPRLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20BrFN4O3/c1-12-19(22)13(2)27(26-12)17-8-4-15(5-9-17)21(29)25-24-20(28)14(3)30-18-10-6-16(23)7-11-18/h4-11,14H,1-3H3,(H,24,28)(H,25,29).
What are the key properties of 4-(4-bromo-3,5-dimethylpyrazol-1-yl)-N'-[2-(4-fluorophenoxy)propanoyl]benzohydrazide?
4-(4-bromo-3,5-dimethylpyrazol-1-yl)-N'-[2-(4-fluorophenoxy)propanoyl]benzohydrazide has a molecular weight of 475.32 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-3,5-dimethylpyrazol-1-yl)-N'-[2-(4-fluorophenoxy)propanoyl]benzohydrazide is sourced from PubChem (CID 46407895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).