N'-[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]-4-oxo-3-propylphthalazine-1-carbohydrazide

C23H21FN6O3 — CID 33488877

IUPACN'-[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]-4-oxo-3-propylphthalazine-1-carbohydrazide
SMILESCCCn1nc(C(=O)NNC(=O)c2cnn(-c3ccccc3F)c2C)c2ccccc2c1=O
InChIInChI=1S/C23H21FN6O3/c1-3-12-29-23(33)16-9-5-4-8-15(16)20(28-29)22(32)27-26-21(31)17-13-25-30(14(17)2)19-11-7-6-10-18(19)24/h4-11,13H,3,12H2,1-2H3,(H,26,31)(H,27,32)
InChIKeyIMVYCEJEFJOXGI-UHFFFAOYSA-N
MW448.46 g/mol
LogP2.51
Rot. Bonds5

About N'-[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]-4-oxo-3-propylphthalazine-1-carbohydrazide

N'-[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]-4-oxo-3-propylphthalazine-1-carbohydrazide (PubChem CID 33488877) has the molecular formula C23H21FN6O3 and a molecular weight of 448.46 g/mol. Its IUPAC name is N'-[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]-4-oxo-3-propylphthalazine-1-carbohydrazide.

Molecular Properties

Compound NameN'-[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]-4-oxo-3-propylphthalazine-1-carbohydrazide
PubChem CID33488877
Molecular FormulaC23H21FN6O3
Molecular Weight448.46 g/mol
Exact Mass448.17
IUPAC NameN'-[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]-4-oxo-3-propylphthalazine-1-carbohydrazide
SMILESCCCn1nc(C(=O)NNC(=O)c2cnn(-c3ccccc3F)c2C)c2ccccc2c1=O
InChIInChI=1S/C23H21FN6O3/c1-3-12-29-23(33)16-9-5-4-8-15(16)20(28-29)22(32)27-26-21(31)17-13-25-30(14(17)2)19-11-7-6-10-18(19)24/h4-11,13H,3,12H2,1-2H3,(H,26,31)(H,27,32)
InChIKeyIMVYCEJEFJOXGI-UHFFFAOYSA-N
XLogP2.51
TPSA110.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.46
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-fluorobenzoyl)-1-(2-fluorophenyl)-5-methylpyrazole-4-carbohydrazide
CID 33480680
N'-(2,6-difluorophenyl)sulfonyl-4-oxo-3-propylphthalazine-1-carbohydrazide
CID 29425395
N'-(2-benzylbenzoyl)-4-oxo-3-propylphthalazine-1-carbohydrazide
CID 55341225
N-[(Z)-1-(2-fluorophenyl)ethylideneamino]-4-oxo-3-propylphthalazine-1-carboxamide
CID 9465179
N-(2-hydroxyethyl)-4-oxo-3-propylphthalazine-1-carboxamide
CID 2110499
N'-[2,5-dimethyl-1-(3-methylphenyl)pyrrole-3-carbonyl]-4-oxo-3-propylphthalazine-1-carbohydrazide
CID 26876179
2,4-dimethyl-N'-(4-oxo-3-propylphthalazine-1-carbonyl)-1,3-thiazole-5-carbohydrazide
CID 55341289
N'-[2-(4-fluorophenyl)sulfanylacetyl]-4-oxo-3-propylphthalazine-1-carbohydrazide
CID 27551825
N'-[2-chloro-5-(2,5-dimethylpyrrol-1-yl)benzoyl]-4-oxo-3-propylphthalazine-1-carbohydrazide
CID 33222868
N'-(2,5-dimethylfuran-3-carbonyl)-1-(2-fluorophenyl)-5-methylpyrazole-4-carbohydrazide
CID 33481092
4-ethyl-N'-(4-oxo-3-propylphthalazine-1-carbonyl)thiadiazole-5-carbohydrazide
CID 46638081
1-(2-fluorophenyl)-5-methyl-N-[2-oxo-2-(propylamino)ethyl]pyrazole-4-carboxamide
CID 134026091

Frequently Asked Questions

What is the IUPAC name of N'-[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]-4-oxo-3-propylphthalazine-1-carbohydrazide?
The IUPAC name of N'-[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]-4-oxo-3-propylphthalazine-1-carbohydrazide (CID 33488877) is N'-[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]-4-oxo-3-propylphthalazine-1-carbohydrazide.
What is the SMILES notation for N'-[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]-4-oxo-3-propylphthalazine-1-carbohydrazide?
The canonical SMILES for N'-[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]-4-oxo-3-propylphthalazine-1-carbohydrazide is CCCn1nc(C(=O)NNC(=O)c2cnn(-c3ccccc3F)c2C)c2ccccc2c1=O.
What is the InChIKey of N'-[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]-4-oxo-3-propylphthalazine-1-carbohydrazide?
The InChIKey is IMVYCEJEFJOXGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN6O3/c1-3-12-29-23(33)16-9-5-4-8-15(16)20(28-29)22(32)27-26-21(31)17-13-25-30(14(17)2)19-11-7-6-10-18(19)24/h4-11,13H,3,12H2,1-2H3,(H,26,31)(H,27,32).
What are the key properties of N'-[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]-4-oxo-3-propylphthalazine-1-carbohydrazide?
N'-[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]-4-oxo-3-propylphthalazine-1-carbohydrazide has a molecular weight of 448.46 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]-4-oxo-3-propylphthalazine-1-carbohydrazide is sourced from PubChem (CID 33488877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).