4-amino-3-(1-methylpyrazol-4-yl)oxybenzamide

C11H12N4O2 — CID 116792417

IUPAC4-amino-3-(1-methylpyrazol-4-yl)oxybenzamide
SMILESCn1cc(Oc2cc(C(N)=O)ccc2N)cn1
InChIInChI=1S/C11H12N4O2/c1-15-6-8(5-14-15)17-10-4-7(11(13)16)2-3-9(10)12/h2-6H,12H2,1H3,(H2,13,16)
InChIKeyILHDYSQMULHYEC-UHFFFAOYSA-N
MW232.24 g/mol
LogP0.89
Rot. Bonds3

About 4-amino-3-(1-methylpyrazol-4-yl)oxybenzamide

4-amino-3-(1-methylpyrazol-4-yl)oxybenzamide (PubChem CID 116792417) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is 4-amino-3-(1-methylpyrazol-4-yl)oxybenzamide.

Molecular Properties

Compound Name4-amino-3-(1-methylpyrazol-4-yl)oxybenzamide
PubChem CID116792417
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC Name4-amino-3-(1-methylpyrazol-4-yl)oxybenzamide
SMILESCn1cc(Oc2cc(C(N)=O)ccc2N)cn1
InChIInChI=1S/C11H12N4O2/c1-15-6-8(5-14-15)17-10-4-7(11(13)16)2-3-9(10)12/h2-6H,12H2,1H3,(H2,13,16)
InChIKeyILHDYSQMULHYEC-UHFFFAOYSA-N
XLogP0.89
TPSA96.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-(1-methylpyrazol-4-yl)oxybenzoic acid
CID 116793241
4-(1-methylpyrazol-4-yl)oxybenzene-1,2-diamine
CID 106748568
3-methyl-4-(1-methylpyrazol-4-yl)oxybenzoic acid
CID 116792565
4-amino-3-(3,5-difluorophenoxy)benzamide
CID 55189641
5-amino-2-(1-methylpyrazol-4-yl)oxybenzoic acid
CID 116793229
4-amino-3-(4-carbamoylphenoxy)benzoic acid
CID 82796681
4-amino-3-trimethylsilyloxybenzamide
CID 167720584
fluoromethane;1-methylpyrazole-4-carboxamide
CID 158051819
5-fluoro-4-methoxy-2-(1-methylpyrazol-4-yl)oxyaniline
CID 116792446
4-fluoro-5-iodo-2-(1-methylpyrazol-4-yl)oxyaniline
CID 116792433
4-(4-amino-1-methylpyrazol-3-yl)oxy-3-methoxybenzamide
CID 103079086
3-fluoro-4-(1-methylpyrazol-4-yl)oxyaniline
CID 116792351

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(1-methylpyrazol-4-yl)oxybenzamide?
The IUPAC name of 4-amino-3-(1-methylpyrazol-4-yl)oxybenzamide (CID 116792417) is 4-amino-3-(1-methylpyrazol-4-yl)oxybenzamide.
What is the SMILES notation for 4-amino-3-(1-methylpyrazol-4-yl)oxybenzamide?
The canonical SMILES for 4-amino-3-(1-methylpyrazol-4-yl)oxybenzamide is Cn1cc(Oc2cc(C(N)=O)ccc2N)cn1.
What is the InChIKey of 4-amino-3-(1-methylpyrazol-4-yl)oxybenzamide?
The InChIKey is ILHDYSQMULHYEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c1-15-6-8(5-14-15)17-10-4-7(11(13)16)2-3-9(10)12/h2-6H,12H2,1H3,(H2,13,16).
What are the key properties of 4-amino-3-(1-methylpyrazol-4-yl)oxybenzamide?
4-amino-3-(1-methylpyrazol-4-yl)oxybenzamide has a molecular weight of 232.24 g/mol, XLogP of 0.89, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(1-methylpyrazol-4-yl)oxybenzamide is sourced from PubChem (CID 116792417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).