4-hydroxy-1-phenyl-N'-(4-prop-2-enoxybenzoyl)pyrazole-3-carbohydrazide

C20H18N4O4 — CID 46578325

IUPAC4-hydroxy-1-phenyl-N'-(4-prop-2-enoxybenzoyl)pyrazole-3-carbohydrazide
SMILESC=CCOc1ccc(C(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)cc1
InChIInChI=1S/C20H18N4O4/c1-2-12-28-16-10-8-14(9-11-16)19(26)21-22-20(27)18-17(25)13-24(23-18)15-6-4-3-5-7-15/h2-11,13,25H,1,12H2,(H,21,26)(H,22,27)
InChIKeyBTYRZVIKASRUEW-UHFFFAOYSA-N
MW378.39 g/mol
LogP2.22
Rot. Bonds6

About 4-hydroxy-1-phenyl-N'-(4-prop-2-enoxybenzoyl)pyrazole-3-carbohydrazide

4-hydroxy-1-phenyl-N'-(4-prop-2-enoxybenzoyl)pyrazole-3-carbohydrazide (PubChem CID 46578325) has the molecular formula C20H18N4O4 and a molecular weight of 378.39 g/mol. Its IUPAC name is 4-hydroxy-1-phenyl-N'-(4-prop-2-enoxybenzoyl)pyrazole-3-carbohydrazide.

Molecular Properties

Compound Name4-hydroxy-1-phenyl-N'-(4-prop-2-enoxybenzoyl)pyrazole-3-carbohydrazide
PubChem CID46578325
Molecular FormulaC20H18N4O4
Molecular Weight378.39 g/mol
Exact Mass378.13
IUPAC Name4-hydroxy-1-phenyl-N'-(4-prop-2-enoxybenzoyl)pyrazole-3-carbohydrazide
SMILESC=CCOc1ccc(C(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)cc1
InChIInChI=1S/C20H18N4O4/c1-2-12-28-16-10-8-14(9-11-16)19(26)21-22-20(27)18-17(25)13-24(23-18)15-6-4-3-5-7-15/h2-11,13,25H,1,12H2,(H,21,26)(H,22,27)
InChIKeyBTYRZVIKASRUEW-UHFFFAOYSA-N
XLogP2.22
TPSA105.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.39
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-hydroxy-N'-(4-phenoxybutanoyl)-1-phenylpyrazole-3-carbohydrazide
CID 46657547
4-hydroxy-1-phenyl-N'-(thiophene-3-carbonyl)pyrazole-3-carbohydrazide
CID 9452480
4-hydroxy-N'-pentanoyl-1-phenylpyrazole-3-carbohydrazide
CID 17478623
N'-[4-(1,3-dithian-2-yl)benzoyl]-4-hydroxy-1-phenylpyrazole-3-carbohydrazide
CID 46657592
3-(2-phenoxyethoxy)-N'-(4-prop-2-enoxybenzoyl)benzohydrazide
CID 4955159
N'-(1,3-benzodioxole-5-carbonyl)-4-hydroxy-1-phenylpyrazole-3-carbohydrazide
CID 17419223
N'-(4-bromobenzoyl)-4-prop-2-enoxybenzohydrazide
CID 54790852
N'-[4-(4-acetyl-2-methoxyphenoxy)butanoyl]-4-hydroxy-1-phenylpyrazole-3-carbohydrazide
CID 46491466
N'-[3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-4-hydroxy-1-phenylpyrazole-3-carbohydrazide
CID 46578336
N'-[2-(4-chlorophenyl)acetyl]-4-hydroxy-1-phenylpyrazole-3-carbohydrazide
CID 17483063
N'-(2,5-dimethylfuran-3-carbonyl)-4-hydroxy-1-phenylpyrazole-3-carbohydrazide
CID 17415770
1-N',9-N'-bis(4-prop-2-enoxybenzoyl)nonanedihydrazide
CID 4926340

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-phenyl-N'-(4-prop-2-enoxybenzoyl)pyrazole-3-carbohydrazide?
The IUPAC name of 4-hydroxy-1-phenyl-N'-(4-prop-2-enoxybenzoyl)pyrazole-3-carbohydrazide (CID 46578325) is 4-hydroxy-1-phenyl-N'-(4-prop-2-enoxybenzoyl)pyrazole-3-carbohydrazide.
What is the SMILES notation for 4-hydroxy-1-phenyl-N'-(4-prop-2-enoxybenzoyl)pyrazole-3-carbohydrazide?
The canonical SMILES for 4-hydroxy-1-phenyl-N'-(4-prop-2-enoxybenzoyl)pyrazole-3-carbohydrazide is C=CCOc1ccc(C(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)cc1.
What is the InChIKey of 4-hydroxy-1-phenyl-N'-(4-prop-2-enoxybenzoyl)pyrazole-3-carbohydrazide?
The InChIKey is BTYRZVIKASRUEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O4/c1-2-12-28-16-10-8-14(9-11-16)19(26)21-22-20(27)18-17(25)13-24(23-18)15-6-4-3-5-7-15/h2-11,13,25H,1,12H2,(H,21,26)(H,22,27).
What are the key properties of 4-hydroxy-1-phenyl-N'-(4-prop-2-enoxybenzoyl)pyrazole-3-carbohydrazide?
4-hydroxy-1-phenyl-N'-(4-prop-2-enoxybenzoyl)pyrazole-3-carbohydrazide has a molecular weight of 378.39 g/mol, XLogP of 2.22, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-phenyl-N'-(4-prop-2-enoxybenzoyl)pyrazole-3-carbohydrazide is sourced from PubChem (CID 46578325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).