4-hydroxy-N-(2-pyrazol-1-ylphenyl)butanamide

C13H15N3O2 — CID 79200496

IUPAC4-hydroxy-N-(2-pyrazol-1-ylphenyl)butanamide
SMILESO=C(CCCO)Nc1ccccc1-n1cccn1
InChIInChI=1S/C13H15N3O2/c17-10-3-7-13(18)15-11-5-1-2-6-12(11)16-9-4-8-14-16/h1-2,4-6,8-9,17H,3,7,10H2,(H,15,18)
InChIKeyXPDJVJAFDVUEJZ-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.58
Rot. Bonds5

About 4-hydroxy-N-(2-pyrazol-1-ylphenyl)butanamide

4-hydroxy-N-(2-pyrazol-1-ylphenyl)butanamide (PubChem CID 79200496) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 4-hydroxy-N-(2-pyrazol-1-ylphenyl)butanamide.

Molecular Properties

Compound Name4-hydroxy-N-(2-pyrazol-1-ylphenyl)butanamide
PubChem CID79200496
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name4-hydroxy-N-(2-pyrazol-1-ylphenyl)butanamide
SMILESO=C(CCCO)Nc1ccccc1-n1cccn1
InChIInChI=1S/C13H15N3O2/c17-10-3-7-13(18)15-11-5-1-2-6-12(11)16-9-4-8-14-16/h1-2,4-6,8-9,17H,3,7,10H2,(H,15,18)
InChIKeyXPDJVJAFDVUEJZ-UHFFFAOYSA-N
XLogP1.58
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(ethylamino)-N-(2-pyrazol-1-ylphenyl)propanamide
CID 62833081
4-(2,5-dioxoimidazolidin-1-yl)-N-(2-pyrazol-1-ylphenyl)butanamide
CID 87036718
4-amino-N-(2-pyrazol-1-ylphenyl)pentanamide;hydrochloride
CID 120558593
3-amino-N-(2-pyrazol-1-ylphenyl)butanamide
CID 60837811
5-(2-pyrazol-1-ylanilino)pentan-1-ol
CID 111770347
4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-(2-pyrazol-1-ylphenyl)butanamide
CID 55647602
3-methyl-N-(2-pyrazol-1-ylphenyl)but-2-enamide
CID 47234607
1,1-dimethyl-3-(2-pyrazol-1-ylphenyl)urea
CID 110470431
5-hydroxy-N-(2-piperidin-1-ylphenyl)pentanamide
CID 79199095
2-(2-methoxyethylamino)-N-(2-pyrazol-1-ylphenyl)acetamide;hydrochloride
CID 119400016
4-amino-3-methoxy-N-(2-pyrazol-1-ylphenyl)butanamide;hydrochloride
CID 120586313
2-(2-oxopiperidin-1-yl)-N-(2-pyrazol-1-ylphenyl)acetamide
CID 78883367

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-(2-pyrazol-1-ylphenyl)butanamide?
The IUPAC name of 4-hydroxy-N-(2-pyrazol-1-ylphenyl)butanamide (CID 79200496) is 4-hydroxy-N-(2-pyrazol-1-ylphenyl)butanamide.
What is the SMILES notation for 4-hydroxy-N-(2-pyrazol-1-ylphenyl)butanamide?
The canonical SMILES for 4-hydroxy-N-(2-pyrazol-1-ylphenyl)butanamide is O=C(CCCO)Nc1ccccc1-n1cccn1.
What is the InChIKey of 4-hydroxy-N-(2-pyrazol-1-ylphenyl)butanamide?
The InChIKey is XPDJVJAFDVUEJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c17-10-3-7-13(18)15-11-5-1-2-6-12(11)16-9-4-8-14-16/h1-2,4-6,8-9,17H,3,7,10H2,(H,15,18).
What are the key properties of 4-hydroxy-N-(2-pyrazol-1-ylphenyl)butanamide?
4-hydroxy-N-(2-pyrazol-1-ylphenyl)butanamide has a molecular weight of 245.28 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-(2-pyrazol-1-ylphenyl)butanamide is sourced from PubChem (CID 79200496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).