5-amino-3-chloro-2-(2,5-dimethylpyrazol-3-yl)oxybenzamide

C12H13ClN4O2 — CID 107198052

IUPAC5-amino-3-chloro-2-(2,5-dimethylpyrazol-3-yl)oxybenzamide
SMILESCc1cc(Oc2c(Cl)cc(N)cc2C(N)=O)n(C)n1
InChIInChI=1S/C12H13ClN4O2/c1-6-3-10(17(2)16-6)19-11-8(12(15)18)4-7(14)5-9(11)13/h3-5H,14H2,1-2H3,(H2,15,18)
InChIKeyUOTWBIPVTNNPAS-UHFFFAOYSA-N
MW280.72 g/mol
LogP1.86
Rot. Bonds3

About 5-amino-3-chloro-2-(2,5-dimethylpyrazol-3-yl)oxybenzamide

5-amino-3-chloro-2-(2,5-dimethylpyrazol-3-yl)oxybenzamide (PubChem CID 107198052) has the molecular formula C12H13ClN4O2 and a molecular weight of 280.72 g/mol. Its IUPAC name is 5-amino-3-chloro-2-(2,5-dimethylpyrazol-3-yl)oxybenzamide.

Molecular Properties

Compound Name5-amino-3-chloro-2-(2,5-dimethylpyrazol-3-yl)oxybenzamide
PubChem CID107198052
Molecular FormulaC12H13ClN4O2
Molecular Weight280.72 g/mol
Exact Mass280.07
IUPAC Name5-amino-3-chloro-2-(2,5-dimethylpyrazol-3-yl)oxybenzamide
SMILESCc1cc(Oc2c(Cl)cc(N)cc2C(N)=O)n(C)n1
InChIInChI=1S/C12H13ClN4O2/c1-6-3-10(17(2)16-6)19-11-8(12(15)18)4-7(14)5-9(11)13/h3-5H,14H2,1-2H3,(H2,15,18)
InChIKeyUOTWBIPVTNNPAS-UHFFFAOYSA-N
XLogP1.86
TPSA96.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.72
LogP ≤ 51.86
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

5-amino-3-chloro-2-(2-chlorophenoxy)benzamide
CID 107197235
3,5-dichloro-6-(2,5-dimethylpyrazol-3-yl)oxypyridin-2-amine
CID 102761083
5-amino-3-chloro-2-(3-methylbutan-2-yloxy)benzamide
CID 107198027
5-amino-2,3-dichlorobenzamide
CID 107183127
3-chloro-4-(2,5-dimethylpyrazol-3-yl)oxybenzenecarbothioamide
CID 81345906
2-chloro-6-(2,5-dimethylpyrazol-3-yl)oxybenzenecarbothioamide
CID 81346149
2-amino-5-(2,5-dimethylpyrazol-3-yl)oxybenzoic acid
CID 81346605
5-amino-2-butan-2-yloxy-3-chlorobenzamide
CID 107197693
2-amino-5-(2,5-dimethylpyrazol-3-yl)oxy-4-fluorobenzoic acid
CID 81345916
1-[2-amino-5-(2,5-dimethylpyrazol-3-yl)oxyphenyl]ethanone
CID 104613349
2-chloro-4-(2,5-dimethylpyrazol-3-yl)oxybenzenecarboximidamide
CID 81346152
2-(2,5-dimethylpyrazol-3-yl)oxy-3-fluorobenzoic acid
CID 81342191

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-chloro-2-(2,5-dimethylpyrazol-3-yl)oxybenzamide?
The IUPAC name of 5-amino-3-chloro-2-(2,5-dimethylpyrazol-3-yl)oxybenzamide (CID 107198052) is 5-amino-3-chloro-2-(2,5-dimethylpyrazol-3-yl)oxybenzamide.
What is the SMILES notation for 5-amino-3-chloro-2-(2,5-dimethylpyrazol-3-yl)oxybenzamide?
The canonical SMILES for 5-amino-3-chloro-2-(2,5-dimethylpyrazol-3-yl)oxybenzamide is Cc1cc(Oc2c(Cl)cc(N)cc2C(N)=O)n(C)n1.
What is the InChIKey of 5-amino-3-chloro-2-(2,5-dimethylpyrazol-3-yl)oxybenzamide?
The InChIKey is UOTWBIPVTNNPAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O2/c1-6-3-10(17(2)16-6)19-11-8(12(15)18)4-7(14)5-9(11)13/h3-5H,14H2,1-2H3,(H2,15,18).
What are the key properties of 5-amino-3-chloro-2-(2,5-dimethylpyrazol-3-yl)oxybenzamide?
5-amino-3-chloro-2-(2,5-dimethylpyrazol-3-yl)oxybenzamide has a molecular weight of 280.72 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-chloro-2-(2,5-dimethylpyrazol-3-yl)oxybenzamide is sourced from PubChem (CID 107198052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).