N-[3-(3-acetyl-5-pyridin-2-ylpyrazol-1-yl)propyl]-2-hydroxyacetamide

C15H18N4O3 — CID 118313306

IUPACN-[3-(3-acetyl-5-pyridin-2-ylpyrazol-1-yl)propyl]-2-hydroxyacetamide
SMILESCC(=O)c1cc(-c2ccccn2)n(CCCNC(=O)CO)n1
InChIInChI=1S/C15H18N4O3/c1-11(21)13-9-14(12-5-2-3-6-16-12)19(18-13)8-4-7-17-15(22)10-20/h2-3,5-6,9,20H,4,7-8,10H2,1H3,(H,17,22)
InChIKeyOEPFAHYUKMFZMI-UHFFFAOYSA-N
MW302.33 g/mol
LogP0.65
Rot. Bonds7

About N-[3-(3-acetyl-5-pyridin-2-ylpyrazol-1-yl)propyl]-2-hydroxyacetamide

N-[3-(3-acetyl-5-pyridin-2-ylpyrazol-1-yl)propyl]-2-hydroxyacetamide (PubChem CID 118313306) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is N-[3-(3-acetyl-5-pyridin-2-ylpyrazol-1-yl)propyl]-2-hydroxyacetamide.

Molecular Properties

Compound NameN-[3-(3-acetyl-5-pyridin-2-ylpyrazol-1-yl)propyl]-2-hydroxyacetamide
PubChem CID118313306
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC NameN-[3-(3-acetyl-5-pyridin-2-ylpyrazol-1-yl)propyl]-2-hydroxyacetamide
SMILESCC(=O)c1cc(-c2ccccn2)n(CCCNC(=O)CO)n1
InChIInChI=1S/C15H18N4O3/c1-11(21)13-9-14(12-5-2-3-6-16-12)19(18-13)8-4-7-17-15(22)10-20/h2-3,5-6,9,20H,4,7-8,10H2,1H3,(H,17,22)
InChIKeyOEPFAHYUKMFZMI-UHFFFAOYSA-N
XLogP0.65
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl N-[3-(3-acetyl-5-pyridin-2-ylpyrazol-1-yl)propyl]carbamate
CID 118306589
methyl 4-fluoro-1-[3-[(2-hydroxyacetyl)amino]propyl]-5-pyridin-2-ylpyrazole-3-carboxylate;methyl 1-[3-[(2-hydroxyacetyl)amino]propyl]-5-pyridin-2-ylpyrazole-3-carboxylate
CID 162136997
1-(1-butyl-3-pyridin-2-ylpyrazol-5-yl)ethanone
CID 174154263
2-(2,5-dioxopyrrolidin-1-yl)-N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]acetamide
CID 121116075
N-[3-(methanesulfonamido)propyl]-1-(6-methyl-3-pyridinyl)-5-pyridin-2-ylpyrazole-3-carboxamide
CID 71193150
2-(1H-indol-3-yl)-N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]acetamide
CID 121115997
N-[2-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethylamino]-2-oxoethyl]benzamide
CID 121115984
N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]-4-oxo-4-phenylbutanamide
CID 71793308
1-(5-pyridin-2-yl-2H-triazol-4-yl)ethanone
CID 82372895
1-ethyl-3-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]urea
CID 90555819
N-[3-(diethylamino)propyl]-2-(4,5-dipyridin-2-ylpyrazol-1-yl)acetamide
CID 15158054
2-(2-chlorophenyl)-N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]acetamide
CID 71793328

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-acetyl-5-pyridin-2-ylpyrazol-1-yl)propyl]-2-hydroxyacetamide?
The IUPAC name of N-[3-(3-acetyl-5-pyridin-2-ylpyrazol-1-yl)propyl]-2-hydroxyacetamide (CID 118313306) is N-[3-(3-acetyl-5-pyridin-2-ylpyrazol-1-yl)propyl]-2-hydroxyacetamide.
What is the SMILES notation for N-[3-(3-acetyl-5-pyridin-2-ylpyrazol-1-yl)propyl]-2-hydroxyacetamide?
The canonical SMILES for N-[3-(3-acetyl-5-pyridin-2-ylpyrazol-1-yl)propyl]-2-hydroxyacetamide is CC(=O)c1cc(-c2ccccn2)n(CCCNC(=O)CO)n1.
What is the InChIKey of N-[3-(3-acetyl-5-pyridin-2-ylpyrazol-1-yl)propyl]-2-hydroxyacetamide?
The InChIKey is OEPFAHYUKMFZMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3/c1-11(21)13-9-14(12-5-2-3-6-16-12)19(18-13)8-4-7-17-15(22)10-20/h2-3,5-6,9,20H,4,7-8,10H2,1H3,(H,17,22).
What are the key properties of N-[3-(3-acetyl-5-pyridin-2-ylpyrazol-1-yl)propyl]-2-hydroxyacetamide?
N-[3-(3-acetyl-5-pyridin-2-ylpyrazol-1-yl)propyl]-2-hydroxyacetamide has a molecular weight of 302.33 g/mol, XLogP of 0.65, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-acetyl-5-pyridin-2-ylpyrazol-1-yl)propyl]-2-hydroxyacetamide is sourced from PubChem (CID 118313306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).