2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-[4-ethoxy-3-(hydroxymethyl)phenyl]acetamide

C16H20ClN3O3 — CID 110028082

IUPAC2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-[4-ethoxy-3-(hydroxymethyl)phenyl]acetamide
SMILESCCOc1ccc(NC(=O)Cc2c(C)nn(C)c2Cl)cc1CO
InChIInChI=1S/C16H20ClN3O3/c1-4-23-14-6-5-12(7-11(14)9-21)18-15(22)8-13-10(2)19-20(3)16(13)17/h5-7,21H,4,8-9H2,1-3H3,(H,18,22)
InChIKeyVYAPKJYOYNNCGE-UHFFFAOYSA-N
MW337.81 g/mol
LogP2.45
Rot. Bonds6

About 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-[4-ethoxy-3-(hydroxymethyl)phenyl]acetamide

2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-[4-ethoxy-3-(hydroxymethyl)phenyl]acetamide (PubChem CID 110028082) 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-[4-ethoxy-3-(hydroxymethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-[4-ethoxy-3-(hydroxymethyl)phenyl]acetamide
PubChem CID110028082
Molecular FormulaC16H20ClN3O3
Molecular Weight337.81 g/mol
Exact Mass337.12
IUPAC Name2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-[4-ethoxy-3-(hydroxymethyl)phenyl]acetamide
SMILESCCOc1ccc(NC(=O)Cc2c(C)nn(C)c2Cl)cc1CO
InChIInChI=1S/C16H20ClN3O3/c1-4-23-14-6-5-12(7-11(14)9-21)18-15(22)8-13-10(2)19-20(3)16(13)17/h5-7,21H,4,8-9H2,1-3H3,(H,18,22)
InChIKeyVYAPKJYOYNNCGE-UHFFFAOYSA-N
XLogP2.45
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 ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-ethoxy-3-(hydroxymethyl)phenyl]propanamide
CID 61015482
3-chloro-N-[4-ethoxy-3-(hydroxymethyl)phenyl]propanamide
CID 54880126
3-[4-ethoxy-3-(hydroxymethyl)anilino]-3-oxopropanoic acid
CID 62231238
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-3-imidazol-1-ylpropanamide
CID 61013976
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-3,3-dimethylbutanamide
CID 54903166
ethyl N-[4-ethoxy-3-(hydroxymethyl)phenyl]carbamate
CID 54903026
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 75435747
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2-(propan-2-ylamino)acetamide
CID 54880178
2-amino-N-[2-[4-ethoxy-3-(hydroxymethyl)anilino]-2-oxoethyl]acetamide
CID 60980090
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-[5-(hydroxymethyl)-2-methylphenyl]acetamide
CID 110028080
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-5-hydroxypentanamide
CID 79191202
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2-methylpropanamide
CID 61015215

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-[4-ethoxy-3-(hydroxymethyl)phenyl]acetamide?
The IUPAC name of 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-[4-ethoxy-3-(hydroxymethyl)phenyl]acetamide (CID 110028082) is 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-[4-ethoxy-3-(hydroxymethyl)phenyl]acetamide.
What is the SMILES notation for 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-[4-ethoxy-3-(hydroxymethyl)phenyl]acetamide?
The canonical SMILES for 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-[4-ethoxy-3-(hydroxymethyl)phenyl]acetamide is CCOc1ccc(NC(=O)Cc2c(C)nn(C)c2Cl)cc1CO.
What is the InChIKey of 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-[4-ethoxy-3-(hydroxymethyl)phenyl]acetamide?
The InChIKey is VYAPKJYOYNNCGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O3/c1-4-23-14-6-5-12(7-11(14)9-21)18-15(22)8-13-10(2)19-20(3)16(13)17/h5-7,21H,4,8-9H2,1-3H3,(H,18,22).
What are the key properties of 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-[4-ethoxy-3-(hydroxymethyl)phenyl]acetamide?
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-[4-ethoxy-3-(hydroxymethyl)phenyl]acetamide has a molecular weight of 337.81 g/mol, XLogP of 2.45, 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-[4-ethoxy-3-(hydroxymethyl)phenyl]acetamide is sourced from PubChem (CID 110028082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).