N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide

C15H19N3O3 — CID 75435747

IUPACN-[4-ethoxy-3-(hydroxymethyl)phenyl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide
SMILESCCOc1ccc(NC(=O)Cc2cc(C)[nH]n2)cc1CO
InChIInChI=1S/C15H19N3O3/c1-3-21-14-5-4-12(7-11(14)9-19)16-15(20)8-13-6-10(2)17-18-13/h4-7,19H,3,8-9H2,1-2H3,(H,16,20)(H,17,18)
InChIKeyJTJNYALBTJZGJD-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.79
Rot. Bonds6

About N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide

N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide (PubChem CID 75435747) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[4-ethoxy-3-(hydroxymethyl)phenyl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide
PubChem CID75435747
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC NameN-[4-ethoxy-3-(hydroxymethyl)phenyl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide
SMILESCCOc1ccc(NC(=O)Cc2cc(C)[nH]n2)cc1CO
InChIInChI=1S/C15H19N3O3/c1-3-21-14-5-4-12(7-11(14)9-19)16-15(20)8-13-6-10(2)17-18-13/h4-7,19H,3,8-9H2,1-2H3,(H,16,20)(H,17,18)
InChIKeyJTJNYALBTJZGJD-UHFFFAOYSA-N
XLogP1.79
TPSA87.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-ethoxy-3-(hydroxymethyl)phenyl]propanamide
CID 61015482
3-[4-ethoxy-3-(hydroxymethyl)anilino]-3-oxopropanoic acid
CID 62231238
N-(2H-benzotriazol-5-yl)-2-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 71918400
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-(propan-2-ylamino)acetamide
CID 54880178
3-chloro-N-[4-ethoxy-3-(hydroxymethyl)phenyl]propanamide
CID 54880126
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-3-methylsulfonylpropanamide
CID 61014839
2-amino-N-[2-[4-ethoxy-3-(hydroxymethyl)anilino]-2-oxoethyl]acetamide
CID 60980090
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-5-hydroxypentanamide
CID 79191202
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2-methylpropanamide
CID 61015215
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-[4-ethoxy-3-(hydroxymethyl)phenyl]acetamide
CID 110028082

Frequently Asked Questions

What is the IUPAC name of N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide?
The IUPAC name of N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide (CID 75435747) is N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide.
What is the SMILES notation for N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide?
The canonical SMILES for N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide is CCOc1ccc(NC(=O)Cc2cc(C)[nH]n2)cc1CO.
What is the InChIKey of N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide?
The InChIKey is JTJNYALBTJZGJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-3-21-14-5-4-12(7-11(14)9-19)16-15(20)8-13-6-10(2)17-18-13/h4-7,19H,3,8-9H2,1-2H3,(H,16,20)(H,17,18).
What are the key properties of N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide?
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide has a molecular weight of 289.34 g/mol, XLogP of 1.79, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide is sourced from PubChem (CID 75435747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).