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

C20H19FN4O3 — CID 26782133

IUPACN'-[2-(4-fluorophenoxy)acetyl]-3-(1-phenylpyrazol-4-yl)propanehydrazide
SMILESO=C(CCc1cnn(-c2ccccc2)c1)NNC(=O)COc1ccc(F)cc1
InChIInChI=1S/C20H19FN4O3/c21-16-7-9-18(10-8-16)28-14-20(27)24-23-19(26)11-6-15-12-22-25(13-15)17-4-2-1-3-5-17/h1-5,7-10,12-13H,6,11,14H2,(H,23,26)(H,24,27)
InChIKeyJIRMTVBIMZQXJS-UHFFFAOYSA-N
MW382.40 g/mol
LogP2.17
Rot. Bonds7

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

N'-[2-(4-fluorophenoxy)acetyl]-3-(1-phenylpyrazol-4-yl)propanehydrazide (PubChem CID 26782133) has the molecular formula C20H19FN4O3 and a molecular weight of 382.40 g/mol. Its IUPAC name is N'-[2-(4-fluorophenoxy)acetyl]-3-(1-phenylpyrazol-4-yl)propanehydrazide.

Molecular Properties

Compound NameN'-[2-(4-fluorophenoxy)acetyl]-3-(1-phenylpyrazol-4-yl)propanehydrazide
PubChem CID26782133
Molecular FormulaC20H19FN4O3
Molecular Weight382.40 g/mol
Exact Mass382.14
IUPAC NameN'-[2-(4-fluorophenoxy)acetyl]-3-(1-phenylpyrazol-4-yl)propanehydrazide
SMILESO=C(CCc1cnn(-c2ccccc2)c1)NNC(=O)COc1ccc(F)cc1
InChIInChI=1S/C20H19FN4O3/c21-16-7-9-18(10-8-16)28-14-20(27)24-23-19(26)11-6-15-12-22-25(13-15)17-4-2-1-3-5-17/h1-5,7-10,12-13H,6,11,14H2,(H,23,26)(H,24,27)
InChIKeyJIRMTVBIMZQXJS-UHFFFAOYSA-N
XLogP2.17
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.40
LogP ≤ 52.17
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-(3-methylphenoxy)acetyl]-3-(1-phenylpyrazol-4-yl)propanehydrazide
CID 35768091
N'-[2-(2-phenylphenoxy)acetyl]-3-(1-phenylpyrazol-4-yl)propanehydrazide
CID 27568549
2-(4-fluorophenoxy)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 8961646
N-[2-(4-methylphenoxy)ethyl]-3-(1-phenylpyrazol-4-yl)propanamide
CID 38449360
2-(4-tert-butylphenoxy)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 134036059
N-(3,5-dimethoxyphenyl)-3-(1-phenylpyrazol-4-yl)propanamide
CID 26465987
3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N'-[2-(4-fluorophenoxy)acetyl]propanehydrazide
CID 9428459
N-(2-ethoxyphenyl)-3-(1-phenylpyrazol-4-yl)propanamide
CID 26466144
N'-[2-(4-ethylphenoxy)acetyl]-1-phenylpyrazole-4-carbohydrazide
CID 9324440
N-[(1-phenylpyrazol-4-yl)methyl]-2-(4-pyridin-2-yloxyphenoxy)acetamide
CID 36631288
N'-[2-(4-fluorophenoxy)acetyl]-3-(4-methoxyphenyl)propanehydrazide
CID 26929871
3-(1-phenylpyrazol-4-yl)-N-[3-(trifluoromethoxy)phenyl]propanamide
CID 38033181

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-fluorophenoxy)acetyl]-3-(1-phenylpyrazol-4-yl)propanehydrazide?
The IUPAC name of N'-[2-(4-fluorophenoxy)acetyl]-3-(1-phenylpyrazol-4-yl)propanehydrazide (CID 26782133) is N'-[2-(4-fluorophenoxy)acetyl]-3-(1-phenylpyrazol-4-yl)propanehydrazide.
What is the SMILES notation for N'-[2-(4-fluorophenoxy)acetyl]-3-(1-phenylpyrazol-4-yl)propanehydrazide?
The canonical SMILES for N'-[2-(4-fluorophenoxy)acetyl]-3-(1-phenylpyrazol-4-yl)propanehydrazide is O=C(CCc1cnn(-c2ccccc2)c1)NNC(=O)COc1ccc(F)cc1.
What is the InChIKey of N'-[2-(4-fluorophenoxy)acetyl]-3-(1-phenylpyrazol-4-yl)propanehydrazide?
The InChIKey is JIRMTVBIMZQXJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O3/c21-16-7-9-18(10-8-16)28-14-20(27)24-23-19(26)11-6-15-12-22-25(13-15)17-4-2-1-3-5-17/h1-5,7-10,12-13H,6,11,14H2,(H,23,26)(H,24,27).
What are the key properties of N'-[2-(4-fluorophenoxy)acetyl]-3-(1-phenylpyrazol-4-yl)propanehydrazide?
N'-[2-(4-fluorophenoxy)acetyl]-3-(1-phenylpyrazol-4-yl)propanehydrazide has a molecular weight of 382.40 g/mol, XLogP of 2.17, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-fluorophenoxy)acetyl]-3-(1-phenylpyrazol-4-yl)propanehydrazide is sourced from PubChem (CID 26782133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).