N'-(4-butoxy-3-methoxybenzoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide

C22H24N4O4 — CID 8889507

IUPACN'-(4-butoxy-3-methoxybenzoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide
SMILESCCCCOc1ccc(C(=O)NNC(=O)c2cc(-c3ccccc3)n[nH]2)cc1OC
InChIInChI=1S/C22H24N4O4/c1-3-4-12-30-19-11-10-16(13-20(19)29-2)21(27)25-26-22(28)18-14-17(23-24-18)15-8-6-5-7-9-15/h5-11,13-14H,3-4,12H2,1-2H3,(H,23,24)(H,25,27)(H,26,28)
InChIKeyZJTRUCQIVHVBFE-UHFFFAOYSA-N
MW408.46 g/mol
LogP3.34
Rot. Bonds8

About N'-(4-butoxy-3-methoxybenzoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide

N'-(4-butoxy-3-methoxybenzoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide (PubChem CID 8889507) has the molecular formula C22H24N4O4 and a molecular weight of 408.46 g/mol. Its IUPAC name is N'-(4-butoxy-3-methoxybenzoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide.

Molecular Properties

Compound NameN'-(4-butoxy-3-methoxybenzoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide
PubChem CID8889507
Molecular FormulaC22H24N4O4
Molecular Weight408.46 g/mol
Exact Mass408.18
IUPAC NameN'-(4-butoxy-3-methoxybenzoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide
SMILESCCCCOc1ccc(C(=O)NNC(=O)c2cc(-c3ccccc3)n[nH]2)cc1OC
InChIInChI=1S/C22H24N4O4/c1-3-4-12-30-19-11-10-16(13-20(19)29-2)21(27)25-26-22(28)18-14-17(23-24-18)15-8-6-5-7-9-15/h5-11,13-14H,3-4,12H2,1-2H3,(H,23,24)(H,25,27)(H,26,28)
InChIKeyZJTRUCQIVHVBFE-UHFFFAOYSA-N
XLogP3.34
TPSA105.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 53.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

N'-benzoyl-4-butoxy-3-methoxybenzohydrazide
CID 9440054
N'-(4-butoxy-3-methoxybenzoyl)-2-methyl-6-phenylpyridine-3-carbohydrazide
CID 24531698
N'-(4-butoxy-3-methoxybenzoyl)-3-ethoxy-4-methoxybenzohydrazide
CID 24553442
4-butoxy-3-methoxy-N-(2-propoxyphenyl)benzamide
CID 26897955
N'-(4-butoxy-3-methoxybenzoyl)naphthalene-1-carbohydrazide
CID 26621633
(2S)-2-[[3-(3,4-dimethoxyphenyl)-1H-pyrazole-5-carbonyl]amino]hexanoic acid
CID 120615160
3-methoxy-N'-[2-(4-phenylphenyl)acetyl]-4-propoxybenzohydrazide
CID 25443034
N'-(4-butoxy-3-methoxybenzoyl)-3,4,5-triethoxybenzohydrazide
CID 25442347
4-butoxy-3-methoxy-N'-(2-phenylsulfanylpropanoyl)benzohydrazide
CID 24553439
4-butoxy-N'-(3-cyanobenzoyl)-3-methoxybenzohydrazide
CID 9440115
N'-(2,3-dimethoxybenzoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 26823823
N'-(4-butoxy-3-methoxybenzoyl)furan-3-carbohydrazide
CID 25442733

Frequently Asked Questions

What is the IUPAC name of N'-(4-butoxy-3-methoxybenzoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide?
The IUPAC name of N'-(4-butoxy-3-methoxybenzoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide (CID 8889507) is N'-(4-butoxy-3-methoxybenzoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide.
What is the SMILES notation for N'-(4-butoxy-3-methoxybenzoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide?
The canonical SMILES for N'-(4-butoxy-3-methoxybenzoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide is CCCCOc1ccc(C(=O)NNC(=O)c2cc(-c3ccccc3)n[nH]2)cc1OC.
What is the InChIKey of N'-(4-butoxy-3-methoxybenzoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide?
The InChIKey is ZJTRUCQIVHVBFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O4/c1-3-4-12-30-19-11-10-16(13-20(19)29-2)21(27)25-26-22(28)18-14-17(23-24-18)15-8-6-5-7-9-15/h5-11,13-14H,3-4,12H2,1-2H3,(H,23,24)(H,25,27)(H,26,28).
What are the key properties of N'-(4-butoxy-3-methoxybenzoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide?
N'-(4-butoxy-3-methoxybenzoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide has a molecular weight of 408.46 g/mol, XLogP of 3.34, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-butoxy-3-methoxybenzoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide is sourced from PubChem (CID 8889507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).