N-[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]-2-propoxyacetamide

C17H23N3O3 — CID 110928306

IUPACN-[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]-2-propoxyacetamide
SMILESCCCOCC(=O)Nc1cc(-c2ccccc2C)nn1CCO
InChIInChI=1S/C17H23N3O3/c1-3-10-23-12-17(22)18-16-11-15(19-20(16)8-9-21)14-7-5-4-6-13(14)2/h4-7,11,21H,3,8-10,12H2,1-2H3,(H,18,22)
InChIKeyUEPSFKYVCOPMKW-UHFFFAOYSA-N
MW317.39 g/mol
LogP2.22
Rot. Bonds8

About N-[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]-2-propoxyacetamide

N-[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]-2-propoxyacetamide (PubChem CID 110928306) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is N-[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]-2-propoxyacetamide.

Molecular Properties

Compound NameN-[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]-2-propoxyacetamide
PubChem CID110928306
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC NameN-[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]-2-propoxyacetamide
SMILESCCCOCC(=O)Nc1cc(-c2ccccc2C)nn1CCO
InChIInChI=1S/C17H23N3O3/c1-3-10-23-12-17(22)18-16-11-15(19-20(16)8-9-21)14-7-5-4-6-13(14)2/h4-7,11,21H,3,8-10,12H2,1-2H3,(H,18,22)
InChIKeyUEPSFKYVCOPMKW-UHFFFAOYSA-N
XLogP2.22
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]pent-4-enamide
CID 110928314
1-[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]-3-[(2R)-1-methoxypropan-2-yl]urea
CID 95282305
1-cyclopropyl-3-[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]urea
CID 52875986
N-[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]-3-oxocyclobutane-1-carboxamide
CID 110004021
(1S,6S)-N-[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]bicyclo[4.1.0]heptane-7-carboxamide
CID 99775066
N-[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]-3-methyl-1,2-thiazole-4-carboxamide
CID 110027521
1-(4-hydroxycyclohexyl)-3-[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]urea
CID 47090473
2-[[[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]amino]methyl]phenol
CID 110928739
(2R)-N-[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]oxolane-2-carboxamide
CID 97007846
3-amino-N-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]propanamide
CID 119340679
2-[5-[(2-fluorophenyl)methylamino]-3-(2-methylphenyl)pyrazol-1-yl]ethanol
CID 110924537
N-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]-2-[[(2S)-oxolan-2-yl]methoxy]acetamide
CID 95935311

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]-2-propoxyacetamide?
The IUPAC name of N-[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]-2-propoxyacetamide (CID 110928306) is N-[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]-2-propoxyacetamide.
What is the SMILES notation for N-[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]-2-propoxyacetamide?
The canonical SMILES for N-[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]-2-propoxyacetamide is CCCOCC(=O)Nc1cc(-c2ccccc2C)nn1CCO.
What is the InChIKey of N-[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]-2-propoxyacetamide?
The InChIKey is UEPSFKYVCOPMKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-3-10-23-12-17(22)18-16-11-15(19-20(16)8-9-21)14-7-5-4-6-13(14)2/h4-7,11,21H,3,8-10,12H2,1-2H3,(H,18,22).
What are the key properties of N-[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]-2-propoxyacetamide?
N-[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]-2-propoxyacetamide has a molecular weight of 317.39 g/mol, XLogP of 2.22, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]-2-propoxyacetamide is sourced from PubChem (CID 110928306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).