(2R)-2-(4-acetylphenoxy)-N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]propanamide

C21H20ClN3O3 — CID 31976291

IUPAC(2R)-2-(4-acetylphenoxy)-N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]propanamide
SMILESCC(=O)c1ccc(O[C@H](C)C(=O)Nc2ccnn2Cc2ccccc2Cl)cc1
InChIInChI=1S/C21H20ClN3O3/c1-14(26)16-7-9-18(10-8-16)28-15(2)21(27)24-20-11-12-23-25(20)13-17-5-3-4-6-19(17)22/h3-12,15H,13H2,1-2H3,(H,24,27)/t15-/m1/s1
InChIKeyQYBCGCGDLIVIDB-OAHLLOKOSA-N
MW397.86 g/mol
LogP4.19
Rot. Bonds7

About (2R)-2-(4-acetylphenoxy)-N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]propanamide

(2R)-2-(4-acetylphenoxy)-N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]propanamide (PubChem CID 31976291) has the molecular formula C21H20ClN3O3 and a molecular weight of 397.86 g/mol. Its IUPAC name is (2R)-2-(4-acetylphenoxy)-N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]propanamide.

Molecular Properties

Compound Name(2R)-2-(4-acetylphenoxy)-N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]propanamide
PubChem CID31976291
Molecular FormulaC21H20ClN3O3
Molecular Weight397.86 g/mol
Exact Mass397.12
IUPAC Name(2R)-2-(4-acetylphenoxy)-N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]propanamide
SMILESCC(=O)c1ccc(O[C@H](C)C(=O)Nc2ccnn2Cc2ccccc2Cl)cc1
InChIInChI=1S/C21H20ClN3O3/c1-14(26)16-7-9-18(10-8-16)28-15(2)21(27)24-20-11-12-23-25(20)13-17-5-3-4-6-19(17)22/h3-12,15H,13H2,1-2H3,(H,24,27)/t15-/m1/s1
InChIKeyQYBCGCGDLIVIDB-OAHLLOKOSA-N
XLogP4.19
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.86
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-(2-benzylpyrazol-3-yl)-2-phenoxypropanamide
CID 30804831
2-(4-acetylphenoxy)-N-[(2-chlorophenyl)methyl]propanamide
CID 17399319
N-[2-[(2-bromophenyl)methyl]pyrazol-3-yl]-2-(4-fluorophenoxy)propanamide
CID 18102461
(2S)-N-(2-benzylpyrazol-3-yl)-2-(4-chloro-3-methylphenoxy)propanamide
CID 35576672
(2R)-N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-(4-fluorophenoxy)propanamide
CID 26725935
N-(2-benzylpyrazol-3-yl)-2-(3,5-dimethylphenoxy)propanamide
CID 45155186
N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-2-(4-methylphenoxy)propanamide
CID 51248503
(2S)-2-(4-fluorophenoxy)-N-[2-[(4-methoxyphenyl)methyl]pyrazol-3-yl]propanamide
CID 35579924
2-(4-fluorophenoxy)-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]propanamide
CID 51064444
(2R)-2-(4-chloro-3-methylphenoxy)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]propanamide
CID 35673332
(2S)-2-(4-chloro-3-methylphenoxy)-N-[2-[(4-methoxyphenyl)methyl]pyrazol-3-yl]propanamide
CID 35579932
2-(2-chlorophenoxy)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]propanamide
CID 51064434

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-acetylphenoxy)-N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]propanamide?
The IUPAC name of (2R)-2-(4-acetylphenoxy)-N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]propanamide (CID 31976291) is (2R)-2-(4-acetylphenoxy)-N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]propanamide.
What is the SMILES notation for (2R)-2-(4-acetylphenoxy)-N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]propanamide?
The canonical SMILES for (2R)-2-(4-acetylphenoxy)-N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]propanamide is CC(=O)c1ccc(O[C@H](C)C(=O)Nc2ccnn2Cc2ccccc2Cl)cc1.
What is the InChIKey of (2R)-2-(4-acetylphenoxy)-N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]propanamide?
The InChIKey is QYBCGCGDLIVIDB-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H20ClN3O3/c1-14(26)16-7-9-18(10-8-16)28-15(2)21(27)24-20-11-12-23-25(20)13-17-5-3-4-6-19(17)22/h3-12,15H,13H2,1-2H3,(H,24,27)/t15-/m1/s1.
What are the key properties of (2R)-2-(4-acetylphenoxy)-N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]propanamide?
(2R)-2-(4-acetylphenoxy)-N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]propanamide has a molecular weight of 397.86 g/mol, XLogP of 4.19, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-acetylphenoxy)-N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]propanamide is sourced from PubChem (CID 31976291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).