4-hydroxy-N'-(4-phenoxybutanoyl)-1-phenylpyrazole-3-carbohydrazide

C20H20N4O4 — CID 46657547

IUPAC4-hydroxy-N'-(4-phenoxybutanoyl)-1-phenylpyrazole-3-carbohydrazide
SMILESO=C(CCCOc1ccccc1)NNC(=O)c1nn(-c2ccccc2)cc1O
InChIInChI=1S/C20H20N4O4/c25-17-14-24(15-8-3-1-4-9-15)23-19(17)20(27)22-21-18(26)12-7-13-28-16-10-5-2-6-11-16/h1-6,8-11,14,25H,7,12-13H2,(H,21,26)(H,22,27)
InChIKeyBBCXOVCLYYAJRH-UHFFFAOYSA-N
MW380.40 g/mol
LogP2.20
Rot. Bonds7

About 4-hydroxy-N'-(4-phenoxybutanoyl)-1-phenylpyrazole-3-carbohydrazide

4-hydroxy-N'-(4-phenoxybutanoyl)-1-phenylpyrazole-3-carbohydrazide (PubChem CID 46657547) has the molecular formula C20H20N4O4 and a molecular weight of 380.40 g/mol. Its IUPAC name is 4-hydroxy-N'-(4-phenoxybutanoyl)-1-phenylpyrazole-3-carbohydrazide.

Molecular Properties

Compound Name4-hydroxy-N'-(4-phenoxybutanoyl)-1-phenylpyrazole-3-carbohydrazide
PubChem CID46657547
Molecular FormulaC20H20N4O4
Molecular Weight380.40 g/mol
Exact Mass380.15
IUPAC Name4-hydroxy-N'-(4-phenoxybutanoyl)-1-phenylpyrazole-3-carbohydrazide
SMILESO=C(CCCOc1ccccc1)NNC(=O)c1nn(-c2ccccc2)cc1O
InChIInChI=1S/C20H20N4O4/c25-17-14-24(15-8-3-1-4-9-15)23-19(17)20(27)22-21-18(26)12-7-13-28-16-10-5-2-6-11-16/h1-6,8-11,14,25H,7,12-13H2,(H,21,26)(H,22,27)
InChIKeyBBCXOVCLYYAJRH-UHFFFAOYSA-N
XLogP2.20
TPSA105.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 52.20
H-Bond Donors ≤ 53
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

4-hydroxy-N'-pentanoyl-1-phenylpyrazole-3-carbohydrazide
CID 17478623
N'-[4-(4-acetyl-2-methoxyphenoxy)butanoyl]-4-hydroxy-1-phenylpyrazole-3-carbohydrazide
CID 46491466
4-hydroxy-1-phenyl-N'-(4-prop-2-enoxybenzoyl)pyrazole-3-carbohydrazide
CID 46578325
N'-[3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-4-hydroxy-1-phenylpyrazole-3-carbohydrazide
CID 46578336
4-hydroxy-N'-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoyl]-1-phenylpyrazole-3-carbohydrazide
CID 46657656
N'-[2-(4-chlorophenyl)acetyl]-4-hydroxy-1-phenylpyrazole-3-carbohydrazide
CID 17483063
4-hydroxy-N'-[2-(1H-indol-3-yl)acetyl]-1-phenylpyrazole-3-carbohydrazide
CID 51186249
4-hydroxy-N'-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoyl]-1-phenylpyrazole-3-carbohydrazide
CID 46698413
4-hydroxy-N'-[2-[(4-methylphenyl)methylsulfanyl]acetyl]-1-phenylpyrazole-3-carbohydrazide
CID 46657426
4-hydroxy-1-phenyl-N'-(thiophene-3-carbonyl)pyrazole-3-carbohydrazide
CID 9452480
4-hydroxy-N'-[3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanoyl]-1-phenylpyrazole-3-carbohydrazide
CID 46657520
N'-acetyl-4-phenoxybutanehydrazide
CID 30905746

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N'-(4-phenoxybutanoyl)-1-phenylpyrazole-3-carbohydrazide?
The IUPAC name of 4-hydroxy-N'-(4-phenoxybutanoyl)-1-phenylpyrazole-3-carbohydrazide (CID 46657547) is 4-hydroxy-N'-(4-phenoxybutanoyl)-1-phenylpyrazole-3-carbohydrazide.
What is the SMILES notation for 4-hydroxy-N'-(4-phenoxybutanoyl)-1-phenylpyrazole-3-carbohydrazide?
The canonical SMILES for 4-hydroxy-N'-(4-phenoxybutanoyl)-1-phenylpyrazole-3-carbohydrazide is O=C(CCCOc1ccccc1)NNC(=O)c1nn(-c2ccccc2)cc1O.
What is the InChIKey of 4-hydroxy-N'-(4-phenoxybutanoyl)-1-phenylpyrazole-3-carbohydrazide?
The InChIKey is BBCXOVCLYYAJRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4/c25-17-14-24(15-8-3-1-4-9-15)23-19(17)20(27)22-21-18(26)12-7-13-28-16-10-5-2-6-11-16/h1-6,8-11,14,25H,7,12-13H2,(H,21,26)(H,22,27).
What are the key properties of 4-hydroxy-N'-(4-phenoxybutanoyl)-1-phenylpyrazole-3-carbohydrazide?
4-hydroxy-N'-(4-phenoxybutanoyl)-1-phenylpyrazole-3-carbohydrazide has a molecular weight of 380.40 g/mol, XLogP of 2.20, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N'-(4-phenoxybutanoyl)-1-phenylpyrazole-3-carbohydrazide is sourced from PubChem (CID 46657547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).