N'-[2-(2-ethoxyphenoxy)acetyl]-1-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carbohydrazide

C25H27FN4O4 — CID 24605294

IUPACN'-[2-(2-ethoxyphenoxy)acetyl]-1-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carbohydrazide
SMILESCCOc1ccccc1OCC(=O)NNC(=O)c1nn(-c2ccc(F)cc2)c2c1CCCCC2
InChIInChI=1S/C25H27FN4O4/c1-2-33-21-10-6-7-11-22(21)34-16-23(31)27-28-25(32)24-19-8-4-3-5-9-20(19)30(29-24)18-14-12-17(26)13-15-18/h6-7,10-15H,2-5,8-9,16H2,1H3,(H,27,31)(H,28,32)
InChIKeyMYEAGEKYXPVZDJ-UHFFFAOYSA-N
MW466.51 g/mol
LogP3.52
Rot. Bonds7

About N'-[2-(2-ethoxyphenoxy)acetyl]-1-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carbohydrazide

N'-[2-(2-ethoxyphenoxy)acetyl]-1-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carbohydrazide (PubChem CID 24605294) has the molecular formula C25H27FN4O4 and a molecular weight of 466.51 g/mol. Its IUPAC name is N'-[2-(2-ethoxyphenoxy)acetyl]-1-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(2-ethoxyphenoxy)acetyl]-1-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carbohydrazide
PubChem CID24605294
Molecular FormulaC25H27FN4O4
Molecular Weight466.51 g/mol
Exact Mass466.20
IUPAC NameN'-[2-(2-ethoxyphenoxy)acetyl]-1-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carbohydrazide
SMILESCCOc1ccccc1OCC(=O)NNC(=O)c1nn(-c2ccc(F)cc2)c2c1CCCCC2
InChIInChI=1S/C25H27FN4O4/c1-2-33-21-10-6-7-11-22(21)34-16-23(31)27-28-25(32)24-19-8-4-3-5-9-20(19)30(29-24)18-14-12-17(26)13-15-18/h6-7,10-15H,2-5,8-9,16H2,1H3,(H,27,31)(H,28,32)
InChIKeyMYEAGEKYXPVZDJ-UHFFFAOYSA-N
XLogP3.52
TPSA94.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.51
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N'-[2-(2-ethoxyphenoxy)acetyl]-1-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carbohydrazide 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

N'-[2-(2-cyanophenoxy)acetyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbohydrazide
CID 24586964
N'-[2-(2-fluorophenoxy)propanoyl]-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbohydrazide
CID 46689744
1-(4-fluorophenyl)-N-(2-methoxyphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide
CID 24592437
1-(4-fluorophenyl)-N-(2-methoxyethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide
CID 24605170
1-(4-fluorophenyl)-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]-4,5,6,7-tetrahydroindazole-3-carbohydrazide
CID 43044595
N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 30859959
N-[3-(2-fluorophenoxy)propyl]-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 18288305
N'-[3-(dimethylamino)benzoyl]-1-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carbohydrazide
CID 24616339
1-(4-fluorophenyl)-N-(3-propan-2-yloxypropyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide
CID 30544749
1-(4-fluorophenyl)-N-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 47017376
[2-(4-ethoxyanilino)-2-oxoethyl] 1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxylate
CID 16581145
N-[2-(ethylcarbamoyl)phenyl]-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 46441505

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-ethoxyphenoxy)acetyl]-1-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carbohydrazide?
The IUPAC name of N'-[2-(2-ethoxyphenoxy)acetyl]-1-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carbohydrazide (CID 24605294) is N'-[2-(2-ethoxyphenoxy)acetyl]-1-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carbohydrazide.
What is the SMILES notation for N'-[2-(2-ethoxyphenoxy)acetyl]-1-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carbohydrazide?
The canonical SMILES for N'-[2-(2-ethoxyphenoxy)acetyl]-1-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carbohydrazide is CCOc1ccccc1OCC(=O)NNC(=O)c1nn(-c2ccc(F)cc2)c2c1CCCCC2.
What is the InChIKey of N'-[2-(2-ethoxyphenoxy)acetyl]-1-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carbohydrazide?
The InChIKey is MYEAGEKYXPVZDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN4O4/c1-2-33-21-10-6-7-11-22(21)34-16-23(31)27-28-25(32)24-19-8-4-3-5-9-20(19)30(29-24)18-14-12-17(26)13-15-18/h6-7,10-15H,2-5,8-9,16H2,1H3,(H,27,31)(H,28,32).
What are the key properties of N'-[2-(2-ethoxyphenoxy)acetyl]-1-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carbohydrazide?
N'-[2-(2-ethoxyphenoxy)acetyl]-1-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carbohydrazide has a molecular weight of 466.51 g/mol, XLogP of 3.52, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-ethoxyphenoxy)acetyl]-1-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carbohydrazide is sourced from PubChem (CID 24605294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).