4-amino-2-(1-ethylpyrazol-4-yl)oxy-N,N-dimethylbenzamide

C14H18N4O2 — CID 116800326

IUPAC4-amino-2-(1-ethylpyrazol-4-yl)oxy-N,N-dimethylbenzamide
SMILESCCn1cc(Oc2cc(N)ccc2C(=O)N(C)C)cn1
InChIInChI=1S/C14H18N4O2/c1-4-18-9-11(8-16-18)20-13-7-10(15)5-6-12(13)14(19)17(2)3/h5-9H,4,15H2,1-3H3
InChIKeyWUNLDVTYPATZOW-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.98
Rot. Bonds4

About 4-amino-2-(1-ethylpyrazol-4-yl)oxy-N,N-dimethylbenzamide

4-amino-2-(1-ethylpyrazol-4-yl)oxy-N,N-dimethylbenzamide (PubChem CID 116800326) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 4-amino-2-(1-ethylpyrazol-4-yl)oxy-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-amino-2-(1-ethylpyrazol-4-yl)oxy-N,N-dimethylbenzamide
PubChem CID116800326
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name4-amino-2-(1-ethylpyrazol-4-yl)oxy-N,N-dimethylbenzamide
SMILESCCn1cc(Oc2cc(N)ccc2C(=O)N(C)C)cn1
InChIInChI=1S/C14H18N4O2/c1-4-18-9-11(8-16-18)20-13-7-10(15)5-6-12(13)14(19)17(2)3/h5-9H,4,15H2,1-3H3
InChIKeyWUNLDVTYPATZOW-UHFFFAOYSA-N
XLogP1.98
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.98
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

4-amino-N,N-dimethyl-2-(1-propylpyrazol-4-yl)oxybenzamide
CID 116800467
4-(1-ethylpyrazol-4-yl)oxy-3-fluoroaniline
CID 116800238
4-(1-ethylpyrazol-4-yl)oxyaniline
CID 116800266
5-bromo-2-(1-ethylpyrazol-4-yl)oxybenzoic acid
CID 114896196
1-[2-(1-ethylpyrazol-4-yl)oxyphenyl]propan-1-one
CID 116801587
4-chloro-2-(1-ethylpyrazol-4-yl)oxy-N'-hydroxybenzenecarboximidamide
CID 116801391
5-bromo-2-(1-ethylpyrazol-4-yl)oxy-4-fluoroaniline
CID 116800312
2-(1-ethylpyrazol-4-yl)oxy-5-nitrobenzoic acid
CID 116800744
4-amino-2-(3,3-dimethylbutoxy)-N,N-dimethylbenzamide
CID 66233795
1-[5-amino-2-[(1-ethylpyrazol-4-yl)methoxy]phenyl]ethanone
CID 116540975
(1-ethylpyrazol-4-yl)methyl 4-amino-2-fluorobenzoate
CID 62127871
3-(1-ethylpyrazol-4-yl)oxypyridine-4-carbothioamide
CID 116801318

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(1-ethylpyrazol-4-yl)oxy-N,N-dimethylbenzamide?
The IUPAC name of 4-amino-2-(1-ethylpyrazol-4-yl)oxy-N,N-dimethylbenzamide (CID 116800326) is 4-amino-2-(1-ethylpyrazol-4-yl)oxy-N,N-dimethylbenzamide.
What is the SMILES notation for 4-amino-2-(1-ethylpyrazol-4-yl)oxy-N,N-dimethylbenzamide?
The canonical SMILES for 4-amino-2-(1-ethylpyrazol-4-yl)oxy-N,N-dimethylbenzamide is CCn1cc(Oc2cc(N)ccc2C(=O)N(C)C)cn1.
What is the InChIKey of 4-amino-2-(1-ethylpyrazol-4-yl)oxy-N,N-dimethylbenzamide?
The InChIKey is WUNLDVTYPATZOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-4-18-9-11(8-16-18)20-13-7-10(15)5-6-12(13)14(19)17(2)3/h5-9H,4,15H2,1-3H3.
What are the key properties of 4-amino-2-(1-ethylpyrazol-4-yl)oxy-N,N-dimethylbenzamide?
4-amino-2-(1-ethylpyrazol-4-yl)oxy-N,N-dimethylbenzamide has a molecular weight of 274.32 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(1-ethylpyrazol-4-yl)oxy-N,N-dimethylbenzamide is sourced from PubChem (CID 116800326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).