1-(4-fluorophenyl)-N'-(3-methoxy-4-propan-2-yloxybenzoyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbohydrazide

C24H25FN4O4 — CID 46690630

IUPAC1-(4-fluorophenyl)-N'-(3-methoxy-4-propan-2-yloxybenzoyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbohydrazide
SMILESCOc1cc(C(=O)NNC(=O)c2nn(-c3ccc(F)cc3)c3c2CCC3)ccc1OC(C)C
InChIInChI=1S/C24H25FN4O4/c1-14(2)33-20-12-7-15(13-21(20)32-3)23(30)26-27-24(31)22-18-5-4-6-19(18)29(28-22)17-10-8-16(25)9-11-17/h7-14H,4-6H2,1-3H3,(H,26,30)(H,27,31)
InChIKeyCAYUZYGAGRIEIN-UHFFFAOYSA-N
MW452.49 g/mol
LogP3.37
Rot. Bonds6

About 1-(4-fluorophenyl)-N'-(3-methoxy-4-propan-2-yloxybenzoyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbohydrazide

1-(4-fluorophenyl)-N'-(3-methoxy-4-propan-2-yloxybenzoyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbohydrazide (PubChem CID 46690630) has the molecular formula C24H25FN4O4 and a molecular weight of 452.49 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N'-(3-methoxy-4-propan-2-yloxybenzoyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbohydrazide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N'-(3-methoxy-4-propan-2-yloxybenzoyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbohydrazide
PubChem CID46690630
Molecular FormulaC24H25FN4O4
Molecular Weight452.49 g/mol
Exact Mass452.19
IUPAC Name1-(4-fluorophenyl)-N'-(3-methoxy-4-propan-2-yloxybenzoyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbohydrazide
SMILESCOc1cc(C(=O)NNC(=O)c2nn(-c3ccc(F)cc3)c3c2CCC3)ccc1OC(C)C
InChIInChI=1S/C24H25FN4O4/c1-14(2)33-20-12-7-15(13-21(20)32-3)23(30)26-27-24(31)22-18-5-4-6-19(18)29(28-22)17-10-8-16(25)9-11-17/h7-14H,4-6H2,1-3H3,(H,26,30)(H,27,31)
InChIKeyCAYUZYGAGRIEIN-UHFFFAOYSA-N
XLogP3.37
TPSA94.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.49
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(4-fluorophenyl)-N'-(3-methoxy-4-propan-2-yloxybenzoyl)-3,5-dimethylpyrazole-4-carbohydrazide
CID 46656733
(3,4-dimethoxyphenyl)-[4-[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperazin-1-yl]methanone
CID 33010133
N'-[2-(2-fluorophenoxy)propanoyl]-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbohydrazide
CID 46689744
1-(4-fluorophenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 16581233
N-(3,5-dimethoxyphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 16591333
1-(4-fluorophenyl)-N-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 47017376
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-(2-methoxyphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide
CID 24592437
N'-acetyl-3-methoxy-4-propan-2-yloxybenzohydrazide
CID 46656614
N'-[3-(dimethylamino)benzoyl]-1-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carbohydrazide
CID 24616339
N-(5-acetamido-2-methoxyphenyl)-1-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide
CID 24608361
N-(2,4-dimethoxyphenyl)-1-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide
CID 24593066

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N'-(3-methoxy-4-propan-2-yloxybenzoyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbohydrazide?
The IUPAC name of 1-(4-fluorophenyl)-N'-(3-methoxy-4-propan-2-yloxybenzoyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbohydrazide (CID 46690630) is 1-(4-fluorophenyl)-N'-(3-methoxy-4-propan-2-yloxybenzoyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbohydrazide.
What is the SMILES notation for 1-(4-fluorophenyl)-N'-(3-methoxy-4-propan-2-yloxybenzoyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbohydrazide?
The canonical SMILES for 1-(4-fluorophenyl)-N'-(3-methoxy-4-propan-2-yloxybenzoyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbohydrazide is COc1cc(C(=O)NNC(=O)c2nn(-c3ccc(F)cc3)c3c2CCC3)ccc1OC(C)C.
What is the InChIKey of 1-(4-fluorophenyl)-N'-(3-methoxy-4-propan-2-yloxybenzoyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbohydrazide?
The InChIKey is CAYUZYGAGRIEIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O4/c1-14(2)33-20-12-7-15(13-21(20)32-3)23(30)26-27-24(31)22-18-5-4-6-19(18)29(28-22)17-10-8-16(25)9-11-17/h7-14H,4-6H2,1-3H3,(H,26,30)(H,27,31).
What are the key properties of 1-(4-fluorophenyl)-N'-(3-methoxy-4-propan-2-yloxybenzoyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbohydrazide?
1-(4-fluorophenyl)-N'-(3-methoxy-4-propan-2-yloxybenzoyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbohydrazide has a molecular weight of 452.49 g/mol, XLogP of 3.37, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N'-(3-methoxy-4-propan-2-yloxybenzoyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbohydrazide is sourced from PubChem (CID 46690630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).