2-(3-methoxy-4-methylphenyl)-N-(1H-pyrazol-5-yl)acetamide

C13H15N3O2 — CID 61393750

IUPAC2-(3-methoxy-4-methylphenyl)-N-(1H-pyrazol-5-yl)acetamide
SMILESCOc1cc(CC(=O)Nc2ccn[nH]2)ccc1C
InChIInChI=1S/C13H15N3O2/c1-9-3-4-10(7-11(9)18-2)8-13(17)15-12-5-6-14-16-12/h3-7H,8H2,1-2H3,(H2,14,15,16,17)
InChIKeyMRLRLOZMLXRMGS-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.91
Rot. Bonds4

About 2-(3-methoxy-4-methylphenyl)-N-(1H-pyrazol-5-yl)acetamide

2-(3-methoxy-4-methylphenyl)-N-(1H-pyrazol-5-yl)acetamide (PubChem CID 61393750) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-(3-methoxy-4-methylphenyl)-N-(1H-pyrazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(3-methoxy-4-methylphenyl)-N-(1H-pyrazol-5-yl)acetamide
PubChem CID61393750
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name2-(3-methoxy-4-methylphenyl)-N-(1H-pyrazol-5-yl)acetamide
SMILESCOc1cc(CC(=O)Nc2ccn[nH]2)ccc1C
InChIInChI=1S/C13H15N3O2/c1-9-3-4-10(7-11(9)18-2)8-13(17)15-12-5-6-14-16-12/h3-7H,8H2,1-2H3,(H2,14,15,16,17)
InChIKeyMRLRLOZMLXRMGS-UHFFFAOYSA-N
XLogP1.91
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(3-methoxy-4-methylphenyl)acetamide
CID 43402634
2-(3-bromo-4-fluorophenyl)-N-(1H-pyrazol-5-yl)acetamide
CID 47466464
N-(5,6-dimethylpyridazin-3-yl)-2-(3-methoxy-4-methylphenyl)acetamide
CID 136525992
2-(3-methoxy-4-methylphenyl)-N-(4-methoxy-3-methylphenyl)acetamide
CID 87032377
2-(3-methoxy-4-methylphenyl)-N-(1-methylpyrazol-3-yl)acetamide
CID 16622145
2-(3-methoxy-4-methylphenyl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 54885247
3-(2-methylphenoxy)-N-(1H-pyrazol-5-yl)propanamide
CID 61393959
N-(2-fluorophenyl)-2-(3-methoxy-4-methylphenyl)acetamide
CID 41484310
N-(4-bromo-2-chlorophenyl)-2-(3-methoxy-4-methylphenyl)acetamide
CID 24555278
2-chloro-N-[(3-methoxy-4-methylphenyl)methyl]acetamide
CID 166403835
N-(2-aminoethyl)-2-(3-methoxy-4-methylphenyl)acetamide;hydrochloride
CID 119383063
N-(3,5-dichlorophenyl)-2-(4-methoxy-3-methylphenyl)acetamide
CID 16848483

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-4-methylphenyl)-N-(1H-pyrazol-5-yl)acetamide?
The IUPAC name of 2-(3-methoxy-4-methylphenyl)-N-(1H-pyrazol-5-yl)acetamide (CID 61393750) is 2-(3-methoxy-4-methylphenyl)-N-(1H-pyrazol-5-yl)acetamide.
What is the SMILES notation for 2-(3-methoxy-4-methylphenyl)-N-(1H-pyrazol-5-yl)acetamide?
The canonical SMILES for 2-(3-methoxy-4-methylphenyl)-N-(1H-pyrazol-5-yl)acetamide is COc1cc(CC(=O)Nc2ccn[nH]2)ccc1C.
What is the InChIKey of 2-(3-methoxy-4-methylphenyl)-N-(1H-pyrazol-5-yl)acetamide?
The InChIKey is MRLRLOZMLXRMGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-9-3-4-10(7-11(9)18-2)8-13(17)15-12-5-6-14-16-12/h3-7H,8H2,1-2H3,(H2,14,15,16,17).
What are the key properties of 2-(3-methoxy-4-methylphenyl)-N-(1H-pyrazol-5-yl)acetamide?
2-(3-methoxy-4-methylphenyl)-N-(1H-pyrazol-5-yl)acetamide has a molecular weight of 245.28 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-4-methylphenyl)-N-(1H-pyrazol-5-yl)acetamide is sourced from PubChem (CID 61393750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).