(2S)-N-(2-benzylpyrazol-3-yl)-2-(4-chloro-3-methylphenoxy)propanamide

C20H20ClN3O2 — CID 35576672

IUPAC(2S)-N-(2-benzylpyrazol-3-yl)-2-(4-chloro-3-methylphenoxy)propanamide
SMILESCc1cc(O[C@@H](C)C(=O)Nc2ccnn2Cc2ccccc2)ccc1Cl
InChIInChI=1S/C20H20ClN3O2/c1-14-12-17(8-9-18(14)21)26-15(2)20(25)23-19-10-11-22-24(19)13-16-6-4-3-5-7-16/h3-12,15H,13H2,1-2H3,(H,23,25)/t15-/m0/s1
InChIKeyKQMNKMNAUKBFRG-HNNXBMFYSA-N
MW369.85 g/mol
LogP4.30
Rot. Bonds6

About (2S)-N-(2-benzylpyrazol-3-yl)-2-(4-chloro-3-methylphenoxy)propanamide

(2S)-N-(2-benzylpyrazol-3-yl)-2-(4-chloro-3-methylphenoxy)propanamide (PubChem CID 35576672) has the molecular formula C20H20ClN3O2 and a molecular weight of 369.85 g/mol. Its IUPAC name is (2S)-N-(2-benzylpyrazol-3-yl)-2-(4-chloro-3-methylphenoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-(2-benzylpyrazol-3-yl)-2-(4-chloro-3-methylphenoxy)propanamide
PubChem CID35576672
Molecular FormulaC20H20ClN3O2
Molecular Weight369.85 g/mol
Exact Mass369.12
IUPAC Name(2S)-N-(2-benzylpyrazol-3-yl)-2-(4-chloro-3-methylphenoxy)propanamide
SMILESCc1cc(O[C@@H](C)C(=O)Nc2ccnn2Cc2ccccc2)ccc1Cl
InChIInChI=1S/C20H20ClN3O2/c1-14-12-17(8-9-18(14)21)26-15(2)20(25)23-19-10-11-22-24(19)13-16-6-4-3-5-7-16/h3-12,15H,13H2,1-2H3,(H,23,25)/t15-/m0/s1
InChIKeyKQMNKMNAUKBFRG-HNNXBMFYSA-N
XLogP4.30
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.85
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(4-chloro-3-methylphenoxy)-N-[2-[(4-methoxyphenyl)methyl]pyrazol-3-yl]propanamide
CID 35579932
(2S)-N-(2-benzylpyrazol-3-yl)-2-phenoxypropanamide
CID 30804831
N-(2-benzylpyrazol-3-yl)-2-(3,5-dimethylphenoxy)propanamide
CID 45155186
(2R)-2-(4-chloro-3-methylphenoxy)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]propanamide
CID 35673332
2-(4-fluorophenoxy)-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]propanamide
CID 51064444
(2R)-N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-(4-fluorophenoxy)propanamide
CID 26725935
(2R)-2-(4-acetylphenoxy)-N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]propanamide
CID 31976291
(2S)-2-(4-fluorophenoxy)-N-[2-[(4-methoxyphenyl)methyl]pyrazol-3-yl]propanamide
CID 35579924
N-(2-benzyl-5-methylpyrazol-3-yl)-2-(3-chlorophenoxy)propanamide
CID 45154155
N-(2-benzylpyrazol-3-yl)-2-(4-fluorophenoxy)butanamide
CID 45155158
(2S)-2-(4-chloro-3-methylphenoxy)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
CID 98845876
(2R)-2-(4-chloro-3-methylphenoxy)-N-(2,6-dimethylphenyl)propanamide
CID 26542487

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-benzylpyrazol-3-yl)-2-(4-chloro-3-methylphenoxy)propanamide?
The IUPAC name of (2S)-N-(2-benzylpyrazol-3-yl)-2-(4-chloro-3-methylphenoxy)propanamide (CID 35576672) is (2S)-N-(2-benzylpyrazol-3-yl)-2-(4-chloro-3-methylphenoxy)propanamide.
What is the SMILES notation for (2S)-N-(2-benzylpyrazol-3-yl)-2-(4-chloro-3-methylphenoxy)propanamide?
The canonical SMILES for (2S)-N-(2-benzylpyrazol-3-yl)-2-(4-chloro-3-methylphenoxy)propanamide is Cc1cc(O[C@@H](C)C(=O)Nc2ccnn2Cc2ccccc2)ccc1Cl.
What is the InChIKey of (2S)-N-(2-benzylpyrazol-3-yl)-2-(4-chloro-3-methylphenoxy)propanamide?
The InChIKey is KQMNKMNAUKBFRG-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H20ClN3O2/c1-14-12-17(8-9-18(14)21)26-15(2)20(25)23-19-10-11-22-24(19)13-16-6-4-3-5-7-16/h3-12,15H,13H2,1-2H3,(H,23,25)/t15-/m0/s1.
What are the key properties of (2S)-N-(2-benzylpyrazol-3-yl)-2-(4-chloro-3-methylphenoxy)propanamide?
(2S)-N-(2-benzylpyrazol-3-yl)-2-(4-chloro-3-methylphenoxy)propanamide has a molecular weight of 369.85 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-benzylpyrazol-3-yl)-2-(4-chloro-3-methylphenoxy)propanamide is sourced from PubChem (CID 35576672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).