(2R)-2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-(2-methoxyethyl)propanamide

C15H18ClN3O3 — CID 100829260

IUPAC(2R)-2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)[C@@H](C)Oc1nn(-c2ccccc2)cc1Cl
InChIInChI=1S/C15H18ClN3O3/c1-11(14(20)17-8-9-21-2)22-15-13(16)10-19(18-15)12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3,(H,17,20)/t11-/m1/s1
InChIKeyHSEPQXKPDLTKSM-LLVKDONJSA-N
MW323.78 g/mol
LogP2.06
Rot. Bonds7

About (2R)-2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-(2-methoxyethyl)propanamide

(2R)-2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-(2-methoxyethyl)propanamide (PubChem CID 100829260) has the molecular formula C15H18ClN3O3 and a molecular weight of 323.78 g/mol. Its IUPAC name is (2R)-2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-(2-methoxyethyl)propanamide
PubChem CID100829260
Molecular FormulaC15H18ClN3O3
Molecular Weight323.78 g/mol
Exact Mass323.10
IUPAC Name(2R)-2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)[C@@H](C)Oc1nn(-c2ccccc2)cc1Cl
InChIInChI=1S/C15H18ClN3O3/c1-11(14(20)17-8-9-21-2)22-15-13(16)10-19(18-15)12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3,(H,17,20)/t11-/m1/s1
InChIKeyHSEPQXKPDLTKSM-LLVKDONJSA-N
XLogP2.06
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.78
LogP ≤ 52.06
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-chloro-1-phenylpyrazol-3-yl)oxy-N-(2-phenylethyl)propanamide
CID 110210597
(2R)-N-(3-methoxypropyl)-2-(4-methyl-1-phenylpyrazol-3-yl)oxypropanamide
CID 100819764
2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-[3-(cyclopropylamino)-3-oxopropyl]propanamide
CID 102567233
2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-[(1,5-dimethylpyrazol-3-yl)methyl]propanamide
CID 102567223
2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide
CID 102567217
(2S)-2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-cyclopentylpropanamide
CID 100829263
(2R)-2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]propanamide
CID 100829318
2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-pyridin-3-ylpropanamide
CID 102567180
2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-(1,3,4-thiadiazol-2-yl)propanamide
CID 102567212
(2S)-2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 100829245
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

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-(2-methoxyethyl)propanamide?
The IUPAC name of (2R)-2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-(2-methoxyethyl)propanamide (CID 100829260) is (2R)-2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for (2R)-2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-(2-methoxyethyl)propanamide?
The canonical SMILES for (2R)-2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-(2-methoxyethyl)propanamide is COCCNC(=O)[C@@H](C)Oc1nn(-c2ccccc2)cc1Cl.
What is the InChIKey of (2R)-2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-(2-methoxyethyl)propanamide?
The InChIKey is HSEPQXKPDLTKSM-LLVKDONJSA-N. The full InChI is InChI=1S/C15H18ClN3O3/c1-11(14(20)17-8-9-21-2)22-15-13(16)10-19(18-15)12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3,(H,17,20)/t11-/m1/s1.
What are the key properties of (2R)-2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-(2-methoxyethyl)propanamide?
(2R)-2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-(2-methoxyethyl)propanamide has a molecular weight of 323.78 g/mol, XLogP of 2.06, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 100829260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).