2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]acetamide

C16H20ClN3O3 — CID 110027918

IUPAC2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(C(O)CNC(=O)Cc2c(C)nn(C)c2Cl)cc1
InChIInChI=1S/C16H20ClN3O3/c1-10-13(16(17)20(2)19-10)8-15(22)18-9-14(21)11-4-6-12(23-3)7-5-11/h4-7,14,21H,8-9H2,1-3H3,(H,18,22)
InChIKeyRXXNDHNSJIHXFM-UHFFFAOYSA-N
MW337.81 g/mol
LogP1.78
Rot. Bonds6

About 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]acetamide

2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]acetamide (PubChem CID 110027918) has the molecular formula C16H20ClN3O3 and a molecular weight of 337.81 g/mol. Its IUPAC name is 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]acetamide
PubChem CID110027918
Molecular FormulaC16H20ClN3O3
Molecular Weight337.81 g/mol
Exact Mass337.12
IUPAC Name2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(C(O)CNC(=O)Cc2c(C)nn(C)c2Cl)cc1
InChIInChI=1S/C16H20ClN3O3/c1-10-13(16(17)20(2)19-10)8-15(22)18-9-14(21)11-4-6-12(23-3)7-5-11/h4-7,14,21H,8-9H2,1-3H3,(H,18,22)
InChIKeyRXXNDHNSJIHXFM-UHFFFAOYSA-N
XLogP1.78
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.81
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-2-hydroxy-2-phenylethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 93033990
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-(2-hydroxy-3,3-dimethylbutyl)acetamide
CID 110027942
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-(2-hydroxy-4-methylpentyl)acetamide
CID 110027961
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-1,5-dimethylpyrazole-3-carboxamide
CID 110900448
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-(4-hydroxy-4-phenylbutan-2-yl)acetamide
CID 110027846
2-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methylamino]-1-(4-methoxyphenyl)ethanol
CID 111421648
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-[1-(4-ethylphenyl)-2-hydroxyethyl]acetamide
CID 110028247
[2-hydroxy-2-(4-methoxyphenyl)ethyl]urea
CID 137321016
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-4-methylbenzamide
CID 110889479
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-2-methylpyridine-3-carboxamide
CID 111109292
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 47178909
N-(2-hydroxy-2-naphthalen-2-ylethyl)-2-(4-methoxyphenyl)acetamide
CID 56785818

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]acetamide (CID 110027918) is 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]acetamide is COc1ccc(C(O)CNC(=O)Cc2c(C)nn(C)c2Cl)cc1.
What is the InChIKey of 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]acetamide?
The InChIKey is RXXNDHNSJIHXFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O3/c1-10-13(16(17)20(2)19-10)8-15(22)18-9-14(21)11-4-6-12(23-3)7-5-11/h4-7,14,21H,8-9H2,1-3H3,(H,18,22).
What are the key properties of 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]acetamide?
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]acetamide has a molecular weight of 337.81 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 110027918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).