4-hydroxy-N'-pentanoyl-1-phenylpyrazole-3-carbohydrazide

C15H18N4O3 — CID 17478623

IUPAC4-hydroxy-N'-pentanoyl-1-phenylpyrazole-3-carbohydrazide
SMILESCCCCC(=O)NNC(=O)c1nn(-c2ccccc2)cc1O
InChIInChI=1S/C15H18N4O3/c1-2-3-9-13(21)16-17-15(22)14-12(20)10-19(18-14)11-7-5-4-6-8-11/h4-8,10,20H,2-3,9H2,1H3,(H,16,21)(H,17,22)
InChIKeyWTMLYWYVHUYGSN-UHFFFAOYSA-N
MW302.33 g/mol
LogP1.53
Rot. Bonds5

About 4-hydroxy-N'-pentanoyl-1-phenylpyrazole-3-carbohydrazide

4-hydroxy-N'-pentanoyl-1-phenylpyrazole-3-carbohydrazide (PubChem CID 17478623) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is 4-hydroxy-N'-pentanoyl-1-phenylpyrazole-3-carbohydrazide.

Molecular Properties

Compound Name4-hydroxy-N'-pentanoyl-1-phenylpyrazole-3-carbohydrazide
PubChem CID17478623
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC Name4-hydroxy-N'-pentanoyl-1-phenylpyrazole-3-carbohydrazide
SMILESCCCCC(=O)NNC(=O)c1nn(-c2ccccc2)cc1O
InChIInChI=1S/C15H18N4O3/c1-2-3-9-13(21)16-17-15(22)14-12(20)10-19(18-14)11-7-5-4-6-8-11/h4-8,10,20H,2-3,9H2,1H3,(H,16,21)(H,17,22)
InChIKeyWTMLYWYVHUYGSN-UHFFFAOYSA-N
XLogP1.53
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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-N'-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoyl]-1-phenylpyrazole-3-carbohydrazide
CID 46657656
N'-[4-(4-acetyl-2-methoxyphenoxy)butanoyl]-4-hydroxy-1-phenylpyrazole-3-carbohydrazide
CID 46491466
N'-[2-(4-chlorophenyl)acetyl]-4-hydroxy-1-phenylpyrazole-3-carbohydrazide
CID 17483063
N'-hexanoyl-1,3-diphenylpyrazole-4-carbohydrazide
CID 36708528
4-hydroxy-N'-[2-[(4-methylphenyl)methylsulfanyl]acetyl]-1-phenylpyrazole-3-carbohydrazide
CID 46657426
4-hydroxy-N'-[3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanoyl]-1-phenylpyrazole-3-carbohydrazide
CID 46657520
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-1-phenyl-N'-(thiophene-3-carbonyl)pyrazole-3-carbohydrazide
CID 9452480
N'-[3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-4-hydroxy-1-phenylpyrazole-3-carbohydrazide
CID 46578336
N'-(2,5-dimethylfuran-3-carbonyl)-4-hydroxy-1-phenylpyrazole-3-carbohydrazide
CID 17415770

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N'-pentanoyl-1-phenylpyrazole-3-carbohydrazide?
The IUPAC name of 4-hydroxy-N'-pentanoyl-1-phenylpyrazole-3-carbohydrazide (CID 17478623) is 4-hydroxy-N'-pentanoyl-1-phenylpyrazole-3-carbohydrazide.
What is the SMILES notation for 4-hydroxy-N'-pentanoyl-1-phenylpyrazole-3-carbohydrazide?
The canonical SMILES for 4-hydroxy-N'-pentanoyl-1-phenylpyrazole-3-carbohydrazide is CCCCC(=O)NNC(=O)c1nn(-c2ccccc2)cc1O.
What is the InChIKey of 4-hydroxy-N'-pentanoyl-1-phenylpyrazole-3-carbohydrazide?
The InChIKey is WTMLYWYVHUYGSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3/c1-2-3-9-13(21)16-17-15(22)14-12(20)10-19(18-14)11-7-5-4-6-8-11/h4-8,10,20H,2-3,9H2,1H3,(H,16,21)(H,17,22).
What are the key properties of 4-hydroxy-N'-pentanoyl-1-phenylpyrazole-3-carbohydrazide?
4-hydroxy-N'-pentanoyl-1-phenylpyrazole-3-carbohydrazide has a molecular weight of 302.33 g/mol, XLogP of 1.53, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N'-pentanoyl-1-phenylpyrazole-3-carbohydrazide is sourced from PubChem (CID 17478623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).