N'-(4-butoxy-3-methoxybenzoyl)-1-(4-fluorophenyl)-5-methylpyrazole-4-carbohydrazide

C23H25FN4O4 — CID 46587133

IUPACN'-(4-butoxy-3-methoxybenzoyl)-1-(4-fluorophenyl)-5-methylpyrazole-4-carbohydrazide
SMILESCCCCOc1ccc(C(=O)NNC(=O)c2cnn(-c3ccc(F)cc3)c2C)cc1OC
InChIInChI=1S/C23H25FN4O4/c1-4-5-12-32-20-11-6-16(13-21(20)31-3)22(29)26-27-23(30)19-14-25-28(15(19)2)18-9-7-17(24)8-10-18/h6-11,13-14H,4-5,12H2,1-3H3,(H,26,29)(H,27,30)
InChIKeyVRORAOCGXBXKHR-UHFFFAOYSA-N
MW440.48 g/mol
LogP3.58
Rot. Bonds8

About N'-(4-butoxy-3-methoxybenzoyl)-1-(4-fluorophenyl)-5-methylpyrazole-4-carbohydrazide

N'-(4-butoxy-3-methoxybenzoyl)-1-(4-fluorophenyl)-5-methylpyrazole-4-carbohydrazide (PubChem CID 46587133) has the molecular formula C23H25FN4O4 and a molecular weight of 440.48 g/mol. Its IUPAC name is N'-(4-butoxy-3-methoxybenzoyl)-1-(4-fluorophenyl)-5-methylpyrazole-4-carbohydrazide.

Molecular Properties

Compound NameN'-(4-butoxy-3-methoxybenzoyl)-1-(4-fluorophenyl)-5-methylpyrazole-4-carbohydrazide
PubChem CID46587133
Molecular FormulaC23H25FN4O4
Molecular Weight440.48 g/mol
Exact Mass440.19
IUPAC NameN'-(4-butoxy-3-methoxybenzoyl)-1-(4-fluorophenyl)-5-methylpyrazole-4-carbohydrazide
SMILESCCCCOc1ccc(C(=O)NNC(=O)c2cnn(-c3ccc(F)cc3)c2C)cc1OC
InChIInChI=1S/C23H25FN4O4/c1-4-5-12-32-20-11-6-16(13-21(20)31-3)22(29)26-27-23(30)19-14-25-28(15(19)2)18-9-7-17(24)8-10-18/h6-11,13-14H,4-5,12H2,1-3H3,(H,26,29)(H,27,30)
InChIKeyVRORAOCGXBXKHR-UHFFFAOYSA-N
XLogP3.58
TPSA94.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.48
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethyl 1-[4-[[(3,4-dimethoxybenzoyl)amino]carbamoyl]phenyl]-5-methylpyrazole-4-carboxylate
CID 43070191
N'-[2-(4-fluorophenoxy)propanoyl]-1-(4-fluorophenyl)-5-methylpyrazole-4-carbohydrazide
CID 46584217
1-(4-fluorophenyl)-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-5-methylpyrazole-4-carboxamide
CID 46414979
N'-(2,4-difluorobenzoyl)-3-methoxy-4-propoxybenzohydrazide
CID 9440206
N'-(4-butoxy-3-methoxybenzoyl)-2,5-dimethylfuran-3-carbohydrazide
CID 26784336
N'-(4-butoxy-3-methoxybenzoyl)naphthalene-1-carbohydrazide
CID 26621633
N'-(4-butoxy-3-methoxybenzoyl)-2-hydroxy-4-methylbenzohydrazide
CID 31715670
N'-(4-butoxy-3-methoxybenzoyl)-3-ethoxy-4-methoxybenzohydrazide
CID 24553442
N'-benzoyl-4-butoxy-3-methoxybenzohydrazide
CID 9440054
N'-(2-chloro-4-fluorobenzoyl)-3-methoxy-4-propoxybenzohydrazide
CID 26621941
1-(4-chlorophenyl)-N'-(4-ethoxy-3-methoxybenzoyl)-5-propan-2-ylpyrazole-4-carbohydrazide
CID 46671387
N'-(4-butoxy-3-methoxybenzoyl)-5-[(4-fluorophenoxy)methyl]furan-2-carbohydrazide
CID 46656743

Frequently Asked Questions

What is the IUPAC name of N'-(4-butoxy-3-methoxybenzoyl)-1-(4-fluorophenyl)-5-methylpyrazole-4-carbohydrazide?
The IUPAC name of N'-(4-butoxy-3-methoxybenzoyl)-1-(4-fluorophenyl)-5-methylpyrazole-4-carbohydrazide (CID 46587133) is N'-(4-butoxy-3-methoxybenzoyl)-1-(4-fluorophenyl)-5-methylpyrazole-4-carbohydrazide.
What is the SMILES notation for N'-(4-butoxy-3-methoxybenzoyl)-1-(4-fluorophenyl)-5-methylpyrazole-4-carbohydrazide?
The canonical SMILES for N'-(4-butoxy-3-methoxybenzoyl)-1-(4-fluorophenyl)-5-methylpyrazole-4-carbohydrazide is CCCCOc1ccc(C(=O)NNC(=O)c2cnn(-c3ccc(F)cc3)c2C)cc1OC.
What is the InChIKey of N'-(4-butoxy-3-methoxybenzoyl)-1-(4-fluorophenyl)-5-methylpyrazole-4-carbohydrazide?
The InChIKey is VRORAOCGXBXKHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O4/c1-4-5-12-32-20-11-6-16(13-21(20)31-3)22(29)26-27-23(30)19-14-25-28(15(19)2)18-9-7-17(24)8-10-18/h6-11,13-14H,4-5,12H2,1-3H3,(H,26,29)(H,27,30).
What are the key properties of N'-(4-butoxy-3-methoxybenzoyl)-1-(4-fluorophenyl)-5-methylpyrazole-4-carbohydrazide?
N'-(4-butoxy-3-methoxybenzoyl)-1-(4-fluorophenyl)-5-methylpyrazole-4-carbohydrazide has a molecular weight of 440.48 g/mol, XLogP of 3.58, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-butoxy-3-methoxybenzoyl)-1-(4-fluorophenyl)-5-methylpyrazole-4-carbohydrazide is sourced from PubChem (CID 46587133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).