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

C22H22F2N4O3 — CID 51959268

IUPAC(2S)-2-(4-fluorophenoxy)-N'-[2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]propanehydrazide
SMILESCc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)NNC(=O)[C@H](C)Oc1ccc(F)cc1
InChIInChI=1S/C22H22F2N4O3/c1-13-20(14(2)28(27-13)18-8-4-16(23)5-9-18)12-21(29)25-26-22(30)15(3)31-19-10-6-17(24)7-11-19/h4-11,15H,12H2,1-3H3,(H,25,29)(H,26,30)/t15-/m0/s1
InChIKeyCGUIUGYJUULYEZ-HNNXBMFYSA-N
MW428.44 g/mol
LogP2.92
Rot. Bonds6

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

(2S)-2-(4-fluorophenoxy)-N'-[2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]propanehydrazide (PubChem CID 51959268) has the molecular formula C22H22F2N4O3 and a molecular weight of 428.44 g/mol. Its IUPAC name is (2S)-2-(4-fluorophenoxy)-N'-[2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]propanehydrazide.

Molecular Properties

Compound Name(2S)-2-(4-fluorophenoxy)-N'-[2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]propanehydrazide
PubChem CID51959268
Molecular FormulaC22H22F2N4O3
Molecular Weight428.44 g/mol
Exact Mass428.17
IUPAC Name(2S)-2-(4-fluorophenoxy)-N'-[2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]propanehydrazide
SMILESCc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)NNC(=O)[C@H](C)Oc1ccc(F)cc1
InChIInChI=1S/C22H22F2N4O3/c1-13-20(14(2)28(27-13)18-8-4-16(23)5-9-18)12-21(29)25-26-22(30)15(3)31-19-10-6-17(24)7-11-19/h4-11,15H,12H2,1-3H3,(H,25,29)(H,26,30)/t15-/m0/s1
InChIKeyCGUIUGYJUULYEZ-HNNXBMFYSA-N
XLogP2.92
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.44
LogP ≤ 52.92
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

N'-[2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]acetyl]-2-(4-fluorophenoxy)propanehydrazide
CID 55788841
4-(4-bromo-3,5-dimethylpyrazol-1-yl)-N'-[2-(4-fluorophenoxy)propanoyl]benzohydrazide
CID 46407895
N-[2-[[2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]ethyl]-2-methylpropanamide
CID 47044914
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-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]acetamide
CID 55761518
N'-[2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]acetyl]-2-naphthalen-2-yloxypropanehydrazide
CID 55581049
(2S)-N'-[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]-2-(4-ethoxyphenoxy)propanehydrazide
CID 9088700
2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 51955758
N'-[2-(4-fluorophenoxy)propanoyl]-1-(4-fluorophenyl)-5-methylpyrazole-4-carbohydrazide
CID 46584217
N-(1-amino-2,3-dimethylbutan-2-yl)-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 119607523

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-fluorophenoxy)-N'-[2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]propanehydrazide?
The IUPAC name of (2S)-2-(4-fluorophenoxy)-N'-[2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]propanehydrazide (CID 51959268) is (2S)-2-(4-fluorophenoxy)-N'-[2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]propanehydrazide.
What is the SMILES notation for (2S)-2-(4-fluorophenoxy)-N'-[2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]propanehydrazide?
The canonical SMILES for (2S)-2-(4-fluorophenoxy)-N'-[2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]propanehydrazide is Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)NNC(=O)[C@H](C)Oc1ccc(F)cc1.
What is the InChIKey of (2S)-2-(4-fluorophenoxy)-N'-[2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]propanehydrazide?
The InChIKey is CGUIUGYJUULYEZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H22F2N4O3/c1-13-20(14(2)28(27-13)18-8-4-16(23)5-9-18)12-21(29)25-26-22(30)15(3)31-19-10-6-17(24)7-11-19/h4-11,15H,12H2,1-3H3,(H,25,29)(H,26,30)/t15-/m0/s1.
What are the key properties of (2S)-2-(4-fluorophenoxy)-N'-[2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]propanehydrazide?
(2S)-2-(4-fluorophenoxy)-N'-[2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]propanehydrazide has a molecular weight of 428.44 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-fluorophenoxy)-N'-[2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]propanehydrazide is sourced from PubChem (CID 51959268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).