(2R)-N-(3-methoxypropyl)-2-(4-methyl-1-phenylpyrazol-3-yl)oxypropanamide

C17H23N3O3 — CID 100819764

IUPAC(2R)-N-(3-methoxypropyl)-2-(4-methyl-1-phenylpyrazol-3-yl)oxypropanamide
SMILESCOCCCNC(=O)[C@@H](C)Oc1nn(-c2ccccc2)cc1C
InChIInChI=1S/C17H23N3O3/c1-13-12-20(15-8-5-4-6-9-15)19-17(13)23-14(2)16(21)18-10-7-11-22-3/h4-6,8-9,12,14H,7,10-11H2,1-3H3,(H,18,21)/t14-/m1/s1
InChIKeyBZTREBMYKZIBRO-CQSZACIVSA-N
MW317.39 g/mol
LogP2.10
Rot. Bonds8

About (2R)-N-(3-methoxypropyl)-2-(4-methyl-1-phenylpyrazol-3-yl)oxypropanamide

(2R)-N-(3-methoxypropyl)-2-(4-methyl-1-phenylpyrazol-3-yl)oxypropanamide (PubChem CID 100819764) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is (2R)-N-(3-methoxypropyl)-2-(4-methyl-1-phenylpyrazol-3-yl)oxypropanamide.

Molecular Properties

Compound Name(2R)-N-(3-methoxypropyl)-2-(4-methyl-1-phenylpyrazol-3-yl)oxypropanamide
PubChem CID100819764
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name(2R)-N-(3-methoxypropyl)-2-(4-methyl-1-phenylpyrazol-3-yl)oxypropanamide
SMILESCOCCCNC(=O)[C@@H](C)Oc1nn(-c2ccccc2)cc1C
InChIInChI=1S/C17H23N3O3/c1-13-12-20(15-8-5-4-6-9-15)19-17(13)23-14(2)16(21)18-10-7-11-22-3/h4-6,8-9,12,14H,7,10-11H2,1-3H3,(H,18,21)/t14-/m1/s1
InChIKeyBZTREBMYKZIBRO-CQSZACIVSA-N
XLogP2.10
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methyl-1-phenylpyrazol-3-yl)oxy-N-(2-methylpropyl)propanamide
CID 102552852
(2S)-2-(4-methyl-1-phenylpyrazol-3-yl)oxy-N-(2-methylpropyl)propanamide
CID 100819736
(2R)-2-(4-methyl-1-phenylpyrazol-3-yl)oxy-N-prop-2-enylpropanamide
CID 100819734
(2R)-2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-(2-methoxyethyl)propanamide
CID 100829260
N-(furan-2-ylmethyl)-2-(4-methyl-1-phenylpyrazol-3-yl)oxypropanamide
CID 102552868
N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-(4-methyl-1-phenylpyrazol-3-yl)oxypropanamide
CID 110210593
(2R)-2-(4-methyl-1-phenylpyrazol-3-yl)oxy-N-pyridin-2-ylpropanamide
CID 100819781
2-(4-methyl-1-phenylpyrazol-3-yl)oxy-N-(1-propan-2-ylpyrazol-4-yl)propanamide
CID 102552878
2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-(2-phenylethyl)propanamide
CID 110210597
(2S)-2-(4-bromo-1-phenylpyrazol-3-yl)oxy-N-[3-(2-fluorophenyl)propyl]propanamide
CID 100830150
(2S)-2-(4-bromo-1-phenylpyrazol-3-yl)oxy-N-(2-methylpropyl)propanamide
CID 100830030
3-[[(2S)-2-(4-methyl-1-phenylpyrazol-3-yl)oxypropanoyl]amino]benzamide
CID 100819794

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-methoxypropyl)-2-(4-methyl-1-phenylpyrazol-3-yl)oxypropanamide?
The IUPAC name of (2R)-N-(3-methoxypropyl)-2-(4-methyl-1-phenylpyrazol-3-yl)oxypropanamide (CID 100819764) is (2R)-N-(3-methoxypropyl)-2-(4-methyl-1-phenylpyrazol-3-yl)oxypropanamide.
What is the SMILES notation for (2R)-N-(3-methoxypropyl)-2-(4-methyl-1-phenylpyrazol-3-yl)oxypropanamide?
The canonical SMILES for (2R)-N-(3-methoxypropyl)-2-(4-methyl-1-phenylpyrazol-3-yl)oxypropanamide is COCCCNC(=O)[C@@H](C)Oc1nn(-c2ccccc2)cc1C.
What is the InChIKey of (2R)-N-(3-methoxypropyl)-2-(4-methyl-1-phenylpyrazol-3-yl)oxypropanamide?
The InChIKey is BZTREBMYKZIBRO-CQSZACIVSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-13-12-20(15-8-5-4-6-9-15)19-17(13)23-14(2)16(21)18-10-7-11-22-3/h4-6,8-9,12,14H,7,10-11H2,1-3H3,(H,18,21)/t14-/m1/s1.
What are the key properties of (2R)-N-(3-methoxypropyl)-2-(4-methyl-1-phenylpyrazol-3-yl)oxypropanamide?
(2R)-N-(3-methoxypropyl)-2-(4-methyl-1-phenylpyrazol-3-yl)oxypropanamide has a molecular weight of 317.39 g/mol, XLogP of 2.10, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-methoxypropyl)-2-(4-methyl-1-phenylpyrazol-3-yl)oxypropanamide is sourced from PubChem (CID 100819764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).