2-(2-methoxy-5-methylphenyl)-N-(1H-pyrazol-5-ylmethyl)acetamide

C14H17N3O2 — CID 60976765

IUPAC2-(2-methoxy-5-methylphenyl)-N-(1H-pyrazol-5-ylmethyl)acetamide
SMILESCOc1ccc(C)cc1CC(=O)NCc1ccn[nH]1
InChIInChI=1S/C14H17N3O2/c1-10-3-4-13(19-2)11(7-10)8-14(18)15-9-12-5-6-16-17-12/h3-7H,8-9H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyWPSSFWLUXOVREI-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.59
Rot. Bonds5

About 2-(2-methoxy-5-methylphenyl)-N-(1H-pyrazol-5-ylmethyl)acetamide

2-(2-methoxy-5-methylphenyl)-N-(1H-pyrazol-5-ylmethyl)acetamide (PubChem CID 60976765) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-(2-methoxy-5-methylphenyl)-N-(1H-pyrazol-5-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2-methoxy-5-methylphenyl)-N-(1H-pyrazol-5-ylmethyl)acetamide
PubChem CID60976765
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name2-(2-methoxy-5-methylphenyl)-N-(1H-pyrazol-5-ylmethyl)acetamide
SMILESCOc1ccc(C)cc1CC(=O)NCc1ccn[nH]1
InChIInChI=1S/C14H17N3O2/c1-10-3-4-13(19-2)11(7-10)8-14(18)15-9-12-5-6-16-17-12/h3-7H,8-9H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyWPSSFWLUXOVREI-UHFFFAOYSA-N
XLogP1.59
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-methoxy-5-methylphenyl)ethyl]-2-methyl-3-(1H-pyrazol-5-ylmethyl)guanidine
CID 111388354
2-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]acetic acid
CID 43241710
2-(2-methoxy-5-methylphenyl)-N-[(2-methylphenyl)methyl]acetamide
CID 9184395
2-(2-methoxy-5-methylphenyl)-N-methylacetamide
CID 39969431
2-(2-methoxyethoxy)-N-(1H-pyrazol-5-ylmethyl)acetamide
CID 61284127
methyl 4-[[[2-(2-methoxy-5-methylphenyl)acetyl]amino]methyl]benzoate
CID 18106700
3-[(2-methoxy-5-methylphenyl)methylamino]-3-oxopropanoic acid
CID 115163375
2-chloro-N-[(2-methoxy-5-methylphenyl)methyl]acetamide
CID 82128305
3-hydroxy-N-[(2-methoxy-5-methylphenyl)methyl]propanamide
CID 115138980
N-(3-hydroxy-2-methylpropyl)-2-(2-methoxy-5-methylphenyl)acetamide
CID 65037014
N-[(2-methoxy-5-methylphenyl)methyl]-3-sulfanylpropanamide
CID 115167821
N-[(2-methoxy-5-methylphenyl)methyl]acetamide
CID 110779845

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-5-methylphenyl)-N-(1H-pyrazol-5-ylmethyl)acetamide?
The IUPAC name of 2-(2-methoxy-5-methylphenyl)-N-(1H-pyrazol-5-ylmethyl)acetamide (CID 60976765) is 2-(2-methoxy-5-methylphenyl)-N-(1H-pyrazol-5-ylmethyl)acetamide.
What is the SMILES notation for 2-(2-methoxy-5-methylphenyl)-N-(1H-pyrazol-5-ylmethyl)acetamide?
The canonical SMILES for 2-(2-methoxy-5-methylphenyl)-N-(1H-pyrazol-5-ylmethyl)acetamide is COc1ccc(C)cc1CC(=O)NCc1ccn[nH]1.
What is the InChIKey of 2-(2-methoxy-5-methylphenyl)-N-(1H-pyrazol-5-ylmethyl)acetamide?
The InChIKey is WPSSFWLUXOVREI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-10-3-4-13(19-2)11(7-10)8-14(18)15-9-12-5-6-16-17-12/h3-7H,8-9H2,1-2H3,(H,15,18)(H,16,17).
What are the key properties of 2-(2-methoxy-5-methylphenyl)-N-(1H-pyrazol-5-ylmethyl)acetamide?
2-(2-methoxy-5-methylphenyl)-N-(1H-pyrazol-5-ylmethyl)acetamide has a molecular weight of 259.31 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-5-methylphenyl)-N-(1H-pyrazol-5-ylmethyl)acetamide is sourced from PubChem (CID 60976765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).