N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-(3-hydroxyphenyl)acetamide

C15H19N3O2 — CID 115888763

IUPACN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-(3-hydroxyphenyl)acetamide
SMILESCCc1nn(C)cc1CNC(=O)Cc1cccc(O)c1
InChIInChI=1S/C15H19N3O2/c1-3-14-12(10-18(2)17-14)9-16-15(20)8-11-5-4-6-13(19)7-11/h4-7,10,19H,3,8-9H2,1-2H3,(H,16,20)
InChIKeyTXYNHBKYWHHWJD-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.55
Rot. Bonds5

About N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-(3-hydroxyphenyl)acetamide

N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-(3-hydroxyphenyl)acetamide (PubChem CID 115888763) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-(3-hydroxyphenyl)acetamide.

Molecular Properties

Compound NameN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-(3-hydroxyphenyl)acetamide
PubChem CID115888763
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC NameN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-(3-hydroxyphenyl)acetamide
SMILESCCc1nn(C)cc1CNC(=O)Cc1cccc(O)c1
InChIInChI=1S/C15H19N3O2/c1-3-14-12(10-18(2)17-14)9-16-15(20)8-11-5-4-6-13(19)7-11/h4-7,10,19H,3,8-9H2,1-2H3,(H,16,20)
InChIKeyTXYNHBKYWHHWJD-UHFFFAOYSA-N
XLogP1.55
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[(3-ethyl-1-methylpyrazol-4-yl)methylamino]methyl]phenol
CID 112549452
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-hydroxy-2-methylbenzamide
CID 103899206
4-(aminomethyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]benzamide
CID 115988977
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-(methylamino)acetamide;hydrochloride
CID 120705685
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-fluoro-3-methylbenzamide
CID 115887147
5-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-5-oxopentanoic acid
CID 112668369
3-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1,1-dimethylurea
CID 115887051
2-amino-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-methylbenzamide
CID 115988891
3-ethyl-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]aniline
CID 112549341
2-(butan-2-ylamino)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]acetamide
CID 112669166
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-hydroxypyridine-4-carboxamide
CID 112550399
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1H-indole-3-carboxamide
CID 115888739

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-(3-hydroxyphenyl)acetamide?
The IUPAC name of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-(3-hydroxyphenyl)acetamide (CID 115888763) is N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-(3-hydroxyphenyl)acetamide.
What is the SMILES notation for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-(3-hydroxyphenyl)acetamide?
The canonical SMILES for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-(3-hydroxyphenyl)acetamide is CCc1nn(C)cc1CNC(=O)Cc1cccc(O)c1.
What is the InChIKey of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-(3-hydroxyphenyl)acetamide?
The InChIKey is TXYNHBKYWHHWJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-3-14-12(10-18(2)17-14)9-16-15(20)8-11-5-4-6-13(19)7-11/h4-7,10,19H,3,8-9H2,1-2H3,(H,16,20).
What are the key properties of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-(3-hydroxyphenyl)acetamide?
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-(3-hydroxyphenyl)acetamide has a molecular weight of 273.34 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-(3-hydroxyphenyl)acetamide is sourced from PubChem (CID 115888763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).