4-hydroxy-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]butanamide

C13H15N3O3 — CID 79201501

IUPAC4-hydroxy-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]butanamide
SMILESO=C(CCCO)Nc1ccc(-c2cc(=O)[nH][nH]2)cc1
InChIInChI=1S/C13H15N3O3/c17-7-1-2-12(18)14-10-5-3-9(4-6-10)11-8-13(19)16-15-11/h3-6,8,17H,1-2,7H2,(H,14,18)(H2,15,16,19)
InChIKeyLHOTYHJKHOCJDR-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.08
Rot. Bonds5

About 4-hydroxy-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]butanamide

4-hydroxy-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]butanamide (PubChem CID 79201501) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is 4-hydroxy-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]butanamide.

Molecular Properties

Compound Name4-hydroxy-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]butanamide
PubChem CID79201501
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name4-hydroxy-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]butanamide
SMILESO=C(CCCO)Nc1ccc(-c2cc(=O)[nH][nH]2)cc1
InChIInChI=1S/C13H15N3O3/c17-7-1-2-12(18)14-10-5-3-9(4-6-10)11-8-13(19)16-15-11/h3-6,8,17H,1-2,7H2,(H,14,18)(H2,15,16,19)
InChIKeyLHOTYHJKHOCJDR-UHFFFAOYSA-N
XLogP1.08
TPSA97.98 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]butanamide
CID 43706888
5-amino-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]hexanamide
CID 82850765
N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]propanamide
CID 60756455
5-amino-4-methyl-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]pentanamide
CID 82013599
4-hydroxy-N-(4-phenylphenyl)butanamide
CID 79192454
3-amino-2,2-dimethyl-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]propanamide
CID 115426240
4-(4-hydroxybutanoylamino)benzamide
CID 79203349
4-hydroxy-N-(4-methylsulfanylphenyl)butanamide
CID 79204834
3-bromo-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]thiophene-2-carboxamide
CID 60967049
N-[4-(4-hydroxybutanoylamino)phenyl]cyclopropanecarboxamide
CID 79193047
4-hydroxy-N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]butanamide
CID 79204687
5-bromo-N-[4-(1H-pyrazol-5-yl)phenyl]pentanamide
CID 107909041

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]butanamide?
The IUPAC name of 4-hydroxy-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]butanamide (CID 79201501) is 4-hydroxy-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]butanamide.
What is the SMILES notation for 4-hydroxy-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]butanamide?
The canonical SMILES for 4-hydroxy-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]butanamide is O=C(CCCO)Nc1ccc(-c2cc(=O)[nH][nH]2)cc1.
What is the InChIKey of 4-hydroxy-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]butanamide?
The InChIKey is LHOTYHJKHOCJDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c17-7-1-2-12(18)14-10-5-3-9(4-6-10)11-8-13(19)16-15-11/h3-6,8,17H,1-2,7H2,(H,14,18)(H2,15,16,19).
What are the key properties of 4-hydroxy-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]butanamide?
4-hydroxy-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]butanamide has a molecular weight of 261.28 g/mol, XLogP of 1.08, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]butanamide is sourced from PubChem (CID 79201501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).