3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N'-[2-(4-fluorophenoxy)acetyl]propanehydrazide

C22H23FN4O3 — CID 9428459

IUPAC3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N'-[2-(4-fluorophenoxy)acetyl]propanehydrazide
SMILESCc1nn(-c2ccccc2)c(C)c1CCC(=O)NNC(=O)COc1ccc(F)cc1
InChIInChI=1S/C22H23FN4O3/c1-15-20(16(2)27(26-15)18-6-4-3-5-7-18)12-13-21(28)24-25-22(29)14-30-19-10-8-17(23)9-11-19/h3-11H,12-14H2,1-2H3,(H,24,28)(H,25,29)
InChIKeyZDWUNBLALJNVFE-UHFFFAOYSA-N
MW410.45 g/mol
LogP2.79
Rot. Bonds7

About 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N'-[2-(4-fluorophenoxy)acetyl]propanehydrazide

3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N'-[2-(4-fluorophenoxy)acetyl]propanehydrazide (PubChem CID 9428459) has the molecular formula C22H23FN4O3 and a molecular weight of 410.45 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N'-[2-(4-fluorophenoxy)acetyl]propanehydrazide.

Molecular Properties

Compound Name3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N'-[2-(4-fluorophenoxy)acetyl]propanehydrazide
PubChem CID9428459
Molecular FormulaC22H23FN4O3
Molecular Weight410.45 g/mol
Exact Mass410.18
IUPAC Name3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N'-[2-(4-fluorophenoxy)acetyl]propanehydrazide
SMILESCc1nn(-c2ccccc2)c(C)c1CCC(=O)NNC(=O)COc1ccc(F)cc1
InChIInChI=1S/C22H23FN4O3/c1-15-20(16(2)27(26-15)18-6-4-3-5-7-18)12-13-21(28)24-25-22(29)14-30-19-10-8-17(23)9-11-19/h3-11H,12-14H2,1-2H3,(H,24,28)(H,25,29)
InChIKeyZDWUNBLALJNVFE-UHFFFAOYSA-N
XLogP2.79
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.45
LogP ≤ 52.79
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

3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(2-fluorophenyl)propanamide
CID 9403845
3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 9399075
3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanoic acid
CID 783981
3-[5-(4-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]-N-propan-2-ylpropanamide
CID 46043139
N'-[2-(4-fluorophenoxy)acetyl]-3-(1-phenylpyrazol-4-yl)propanehydrazide
CID 26782133
3-[5-(4-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]-N-(2-methoxyethyl)propanamide
CID 42850693
N-(cyclopropylmethyl)-3-[5-(4-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]propanamide
CID 46043146
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-phenoxybutanamide
CID 46653199
2-(4-tert-butylphenoxy)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 24543226
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-(2-fluorophenoxy)propanamide
CID 134013923
3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide
CID 35331106
N-[(4-chlorophenyl)methyl]-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide
CID 40722802

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N'-[2-(4-fluorophenoxy)acetyl]propanehydrazide?
The IUPAC name of 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N'-[2-(4-fluorophenoxy)acetyl]propanehydrazide (CID 9428459) is 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N'-[2-(4-fluorophenoxy)acetyl]propanehydrazide.
What is the SMILES notation for 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N'-[2-(4-fluorophenoxy)acetyl]propanehydrazide?
The canonical SMILES for 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N'-[2-(4-fluorophenoxy)acetyl]propanehydrazide is Cc1nn(-c2ccccc2)c(C)c1CCC(=O)NNC(=O)COc1ccc(F)cc1.
What is the InChIKey of 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N'-[2-(4-fluorophenoxy)acetyl]propanehydrazide?
The InChIKey is ZDWUNBLALJNVFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O3/c1-15-20(16(2)27(26-15)18-6-4-3-5-7-18)12-13-21(28)24-25-22(29)14-30-19-10-8-17(23)9-11-19/h3-11H,12-14H2,1-2H3,(H,24,28)(H,25,29).
What are the key properties of 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N'-[2-(4-fluorophenoxy)acetyl]propanehydrazide?
3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N'-[2-(4-fluorophenoxy)acetyl]propanehydrazide has a molecular weight of 410.45 g/mol, XLogP of 2.79, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N'-[2-(4-fluorophenoxy)acetyl]propanehydrazide is sourced from PubChem (CID 9428459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).