2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-(3-methoxypropyl)-2-methylpropanamide

C17H22ClN3O3 — CID 100829394

IUPAC2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-(3-methoxypropyl)-2-methylpropanamide
SMILESCOCCCNC(=O)C(C)(C)Oc1nn(-c2ccccc2)cc1Cl
InChIInChI=1S/C17H22ClN3O3/c1-17(2,16(22)19-10-7-11-23-3)24-15-14(18)12-21(20-15)13-8-5-4-6-9-13/h4-6,8-9,12H,7,10-11H2,1-3H3,(H,19,22)
InChIKeyXNRRVWIHJPMAIW-UHFFFAOYSA-N
MW351.83 g/mol
LogP2.84
Rot. Bonds8

About 2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-(3-methoxypropyl)-2-methylpropanamide

2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-(3-methoxypropyl)-2-methylpropanamide (PubChem CID 100829394) has the molecular formula C17H22ClN3O3 and a molecular weight of 351.83 g/mol. Its IUPAC name is 2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-(3-methoxypropyl)-2-methylpropanamide.

Molecular Properties

Compound Name2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-(3-methoxypropyl)-2-methylpropanamide
PubChem CID100829394
Molecular FormulaC17H22ClN3O3
Molecular Weight351.83 g/mol
Exact Mass351.13
IUPAC Name2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-(3-methoxypropyl)-2-methylpropanamide
SMILESCOCCCNC(=O)C(C)(C)Oc1nn(-c2ccccc2)cc1Cl
InChIInChI=1S/C17H22ClN3O3/c1-17(2,16(22)19-10-7-11-23-3)24-15-14(18)12-21(20-15)13-8-5-4-6-9-13/h4-6,8-9,12H,7,10-11H2,1-3H3,(H,19,22)
InChIKeyXNRRVWIHJPMAIW-UHFFFAOYSA-N
XLogP2.84
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.83
LogP ≤ 52.84
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-bromo-1-phenylpyrazol-3-yl)oxy-N-(2-methoxyethyl)-2-methylpropanamide
CID 100829396
2-(4-chloro-1-phenylpyrazol-3-yl)oxy-2-methyl-N-prop-2-enylpropanamide
CID 100829350
2-(4-chloro-1-phenylpyrazol-3-yl)oxy-2-methyl-N-(6-methyl-2-pyridinyl)propanamide
CID 100829399
(2R)-2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-(2-methoxyethyl)propanamide
CID 100829260
(2R)-N-(3-methoxypropyl)-2-(4-methyl-1-phenylpyrazol-3-yl)oxypropanamide
CID 100819764
4-(4-methoxybutoxy)-1-phenylpyrazole-3-carboxylic acid
CID 104646795
2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-(2-phenylethyl)propanamide
CID 110210597
2-methyl-2-(4-methyl-1-phenylpyrazol-3-yl)oxy-N-(pyridin-3-ylmethyl)propanamide
CID 100829078
3-(2,4-dimethoxyphenyl)-N-(3-methoxypropyl)-1-phenylpyrazole-4-carboxamide
CID 29202756
2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-[3-(2-fluorophenyl)propyl]acetamide
CID 100829206
N-(3-methoxypropyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 27556068
5-[(4-methoxy-1-phenylpyrazole-3-carbonyl)amino]pentanoic acid
CID 119234819

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-(3-methoxypropyl)-2-methylpropanamide?
The IUPAC name of 2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-(3-methoxypropyl)-2-methylpropanamide (CID 100829394) is 2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-(3-methoxypropyl)-2-methylpropanamide.
What is the SMILES notation for 2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-(3-methoxypropyl)-2-methylpropanamide?
The canonical SMILES for 2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-(3-methoxypropyl)-2-methylpropanamide is COCCCNC(=O)C(C)(C)Oc1nn(-c2ccccc2)cc1Cl.
What is the InChIKey of 2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-(3-methoxypropyl)-2-methylpropanamide?
The InChIKey is XNRRVWIHJPMAIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3O3/c1-17(2,16(22)19-10-7-11-23-3)24-15-14(18)12-21(20-15)13-8-5-4-6-9-13/h4-6,8-9,12H,7,10-11H2,1-3H3,(H,19,22).
What are the key properties of 2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-(3-methoxypropyl)-2-methylpropanamide?
2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-(3-methoxypropyl)-2-methylpropanamide has a molecular weight of 351.83 g/mol, XLogP of 2.84, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-(3-methoxypropyl)-2-methylpropanamide is sourced from PubChem (CID 100829394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).