1-[2-amino-5-(2,5-dimethylpyrazol-3-yl)oxyphenyl]ethanone

C13H15N3O2 — CID 104613349

IUPAC1-[2-amino-5-(2,5-dimethylpyrazol-3-yl)oxyphenyl]ethanone
SMILESCC(=O)c1cc(Oc2cc(C)nn2C)ccc1N
InChIInChI=1S/C13H15N3O2/c1-8-6-13(16(3)15-8)18-10-4-5-12(14)11(7-10)9(2)17/h4-7H,14H2,1-3H3
InChIKeyQLFYFPOMAUJAMB-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.31
Rot. Bonds3

About 1-[2-amino-5-(2,5-dimethylpyrazol-3-yl)oxyphenyl]ethanone

1-[2-amino-5-(2,5-dimethylpyrazol-3-yl)oxyphenyl]ethanone (PubChem CID 104613349) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 1-[2-amino-5-(2,5-dimethylpyrazol-3-yl)oxyphenyl]ethanone.

Molecular Properties

Compound Name1-[2-amino-5-(2,5-dimethylpyrazol-3-yl)oxyphenyl]ethanone
PubChem CID104613349
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name1-[2-amino-5-(2,5-dimethylpyrazol-3-yl)oxyphenyl]ethanone
SMILESCC(=O)c1cc(Oc2cc(C)nn2C)ccc1N
InChIInChI=1S/C13H15N3O2/c1-8-6-13(16(3)15-8)18-10-4-5-12(14)11(7-10)9(2)17/h4-7H,14H2,1-3H3
InChIKeyQLFYFPOMAUJAMB-UHFFFAOYSA-N
XLogP2.31
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-5-(2,5-dimethylpyrazol-3-yl)oxybenzoic acid
CID 81346605
methyl 2-amino-5-(2,5-dimethylpyrazol-3-yl)oxy-3-methylbenzoate
CID 81341337
1-[2-amino-5-(4-iodophenoxy)phenyl]ethanone
CID 104613269
4-(2,5-dimethylpyrazol-3-yl)oxybenzenecarbothioamide
CID 81346371
5-(2,5-dimethylpyrazol-3-yl)oxypyridine-2-carboxylic acid
CID 115491170
2-amino-5-(2,5-dimethylpyrazol-3-yl)oxy-4-fluorobenzoic acid
CID 81345916
(1S)-1-[2-bromo-4-(2,5-dimethylpyrazol-3-yl)oxyphenyl]ethanamine
CID 114069465
3-amino-4-(2,5-dimethylpyrazol-3-yl)oxybenzoic acid
CID 81346768
4-amino-3-(2,5-dimethylpyrazol-3-yl)oxy-N-methylbenzamide
CID 81342274
2-chloro-4-(2,5-dimethylpyrazol-3-yl)oxybenzenecarboximidamide
CID 81346152
2-amino-5-(2,5-dimethylpyrazol-3-yl)oxypyridine-4-carboxylic acid
CID 114195702
1-[2-amino-5-(2-chloro-4-methylphenoxy)phenyl]ethanone
CID 104613311

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-5-(2,5-dimethylpyrazol-3-yl)oxyphenyl]ethanone?
The IUPAC name of 1-[2-amino-5-(2,5-dimethylpyrazol-3-yl)oxyphenyl]ethanone (CID 104613349) is 1-[2-amino-5-(2,5-dimethylpyrazol-3-yl)oxyphenyl]ethanone.
What is the SMILES notation for 1-[2-amino-5-(2,5-dimethylpyrazol-3-yl)oxyphenyl]ethanone?
The canonical SMILES for 1-[2-amino-5-(2,5-dimethylpyrazol-3-yl)oxyphenyl]ethanone is CC(=O)c1cc(Oc2cc(C)nn2C)ccc1N.
What is the InChIKey of 1-[2-amino-5-(2,5-dimethylpyrazol-3-yl)oxyphenyl]ethanone?
The InChIKey is QLFYFPOMAUJAMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-8-6-13(16(3)15-8)18-10-4-5-12(14)11(7-10)9(2)17/h4-7H,14H2,1-3H3.
What are the key properties of 1-[2-amino-5-(2,5-dimethylpyrazol-3-yl)oxyphenyl]ethanone?
1-[2-amino-5-(2,5-dimethylpyrazol-3-yl)oxyphenyl]ethanone has a molecular weight of 245.28 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-5-(2,5-dimethylpyrazol-3-yl)oxyphenyl]ethanone is sourced from PubChem (CID 104613349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).