2-(2,5-dimethylphenoxy)-N-(1H-pyrazol-5-yl)acetamide

C13H15N3O2 — CID 61393949

IUPAC2-(2,5-dimethylphenoxy)-N-(1H-pyrazol-5-yl)acetamide
SMILESCc1ccc(C)c(OCC(=O)Nc2ccn[nH]2)c1
InChIInChI=1S/C13H15N3O2/c1-9-3-4-10(2)11(7-9)18-8-13(17)15-12-5-6-14-16-12/h3-7H,8H2,1-2H3,(H2,14,15,16,17)
InChIKeyIQCYMAREDPBMOJ-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.04
Rot. Bonds4

About 2-(2,5-dimethylphenoxy)-N-(1H-pyrazol-5-yl)acetamide

2-(2,5-dimethylphenoxy)-N-(1H-pyrazol-5-yl)acetamide (PubChem CID 61393949) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-(2,5-dimethylphenoxy)-N-(1H-pyrazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(2,5-dimethylphenoxy)-N-(1H-pyrazol-5-yl)acetamide
PubChem CID61393949
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name2-(2,5-dimethylphenoxy)-N-(1H-pyrazol-5-yl)acetamide
SMILESCc1ccc(C)c(OCC(=O)Nc2ccn[nH]2)c1
InChIInChI=1S/C13H15N3O2/c1-9-3-4-10(2)11(7-9)18-8-13(17)15-12-5-6-14-16-12/h3-7H,8H2,1-2H3,(H2,14,15,16,17)
InChIKeyIQCYMAREDPBMOJ-UHFFFAOYSA-N
XLogP2.04
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 ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,6-dimethylphenoxy)-N-(1H-pyrazol-5-yl)acetamide
CID 61393587
2-(2,5-dimethylphenoxy)-N-(5-fluoro-2-methylphenyl)acetamide
CID 35728477
2-(3-methoxy-4-methylphenyl)-N-(1H-pyrazol-5-yl)acetamide
CID 61393750
2-(2,5-dimethylphenoxy)-N-[2-[[2-(2,5-dimethylphenoxy)acetyl]amino]phenyl]acetamide
CID 1012654
N'-(2-chloroacetyl)-2-(2,5-dimethylphenoxy)acetohydrazide
CID 166414788
2-(2,5-dimethylphenoxy)-N-(1,3-thiazol-2-yl)acetamide
CID 715604
2-(2,5-dimethylphenoxy)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide
CID 83092748
2-(2,5-dimethylphenoxy)-N-(2-methoxy-5-methylphenyl)acetamide
CID 807483
N'-[2-(2,5-dimethylphenoxy)acetyl]-2-methoxyacetohydrazide
CID 47102429
3-(2-methylphenoxy)-N-(1H-pyrazol-5-yl)propanamide
CID 61393959
4-chloro-2-[[2-(2,5-dimethylphenoxy)acetyl]amino]benzoic acid
CID 882599
3-(4-methylphenoxy)-N-(1H-pyrazol-5-yl)propanamide
CID 61393951

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenoxy)-N-(1H-pyrazol-5-yl)acetamide?
The IUPAC name of 2-(2,5-dimethylphenoxy)-N-(1H-pyrazol-5-yl)acetamide (CID 61393949) is 2-(2,5-dimethylphenoxy)-N-(1H-pyrazol-5-yl)acetamide.
What is the SMILES notation for 2-(2,5-dimethylphenoxy)-N-(1H-pyrazol-5-yl)acetamide?
The canonical SMILES for 2-(2,5-dimethylphenoxy)-N-(1H-pyrazol-5-yl)acetamide is Cc1ccc(C)c(OCC(=O)Nc2ccn[nH]2)c1.
What is the InChIKey of 2-(2,5-dimethylphenoxy)-N-(1H-pyrazol-5-yl)acetamide?
The InChIKey is IQCYMAREDPBMOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-9-3-4-10(2)11(7-9)18-8-13(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-(2,5-dimethylphenoxy)-N-(1H-pyrazol-5-yl)acetamide?
2-(2,5-dimethylphenoxy)-N-(1H-pyrazol-5-yl)acetamide has a molecular weight of 245.28 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenoxy)-N-(1H-pyrazol-5-yl)acetamide is sourced from PubChem (CID 61393949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).