4-[4-(ethylaminomethyl)-1,3-dimethylpyrazol-5-yl]oxybenzamide

C15H20N4O2 — CID 43283512

IUPAC4-[4-(ethylaminomethyl)-1,3-dimethylpyrazol-5-yl]oxybenzamide
SMILESCCNCc1c(C)nn(C)c1Oc1ccc(C(N)=O)cc1
InChIInChI=1S/C15H20N4O2/c1-4-17-9-13-10(2)18-19(3)15(13)21-12-7-5-11(6-8-12)14(16)20/h5-8,17H,4,9H2,1-3H3,(H2,16,20)
InChIKeyNSTRIVGVKMDMKJ-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.73
Rot. Bonds6

About 4-[4-(ethylaminomethyl)-1,3-dimethylpyrazol-5-yl]oxybenzamide

4-[4-(ethylaminomethyl)-1,3-dimethylpyrazol-5-yl]oxybenzamide (PubChem CID 43283512) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 4-[4-(ethylaminomethyl)-1,3-dimethylpyrazol-5-yl]oxybenzamide.

Molecular Properties

Compound Name4-[4-(ethylaminomethyl)-1,3-dimethylpyrazol-5-yl]oxybenzamide
PubChem CID43283512
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name4-[4-(ethylaminomethyl)-1,3-dimethylpyrazol-5-yl]oxybenzamide
SMILESCCNCc1c(C)nn(C)c1Oc1ccc(C(N)=O)cc1
InChIInChI=1S/C15H20N4O2/c1-4-17-9-13-10(2)18-19(3)15(13)21-12-7-5-11(6-8-12)14(16)20/h5-8,17H,4,9H2,1-3H3,(H2,16,20)
InChIKeyNSTRIVGVKMDMKJ-UHFFFAOYSA-N
XLogP1.73
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1,3-dimethyl-5-phenoxypyrazol-4-yl)methyl]ethanamine
CID 43283185
2-[4-[4-(ethylaminomethyl)-1,3-dimethylpyrazol-5-yl]oxyphenyl]ethanol
CID 107709326
N-[[5-(4-chloro-3-methylphenoxy)-1,3-dimethylpyrazol-4-yl]methyl]ethanamine
CID 43282341
N-[[1,3-dimethyl-5-(1-methylpyrazol-4-yl)oxypyrazol-4-yl]methyl]ethanamine
CID 116793112
N-[[5-(4-chlorophenoxy)-1,3-dimethylpyrazol-4-yl]methyl]propan-1-amine
CID 43282981
N-[[1,3-dimethyl-5-(2-methylphenoxy)pyrazol-4-yl]methyl]ethanamine
CID 43283129
N-[[5-(1-ethylpyrazol-4-yl)oxy-1,3-dimethylpyrazol-4-yl]methyl]ethanamine
CID 116802161
4-(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)oxybenzamide
CID 66013536
N-[[5-(4-iodophenoxy)-1,3-dimethylpyrazol-4-yl]methyl]-2-methylpropan-1-amine
CID 63070596
3-[(1,3-dimethyl-5-phenoxypyrazol-4-yl)methylamino]-N,N-dimethylpropanamide;hydrochloride
CID 51131404
N-[[5-(2-fluoro-5-methylphenoxy)-1,3-dimethylpyrazol-4-yl]methyl]ethanamine
CID 64855617
4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]benzamide
CID 28614415

Frequently Asked Questions

What is the IUPAC name of 4-[4-(ethylaminomethyl)-1,3-dimethylpyrazol-5-yl]oxybenzamide?
The IUPAC name of 4-[4-(ethylaminomethyl)-1,3-dimethylpyrazol-5-yl]oxybenzamide (CID 43283512) is 4-[4-(ethylaminomethyl)-1,3-dimethylpyrazol-5-yl]oxybenzamide.
What is the SMILES notation for 4-[4-(ethylaminomethyl)-1,3-dimethylpyrazol-5-yl]oxybenzamide?
The canonical SMILES for 4-[4-(ethylaminomethyl)-1,3-dimethylpyrazol-5-yl]oxybenzamide is CCNCc1c(C)nn(C)c1Oc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[4-(ethylaminomethyl)-1,3-dimethylpyrazol-5-yl]oxybenzamide?
The InChIKey is NSTRIVGVKMDMKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-4-17-9-13-10(2)18-19(3)15(13)21-12-7-5-11(6-8-12)14(16)20/h5-8,17H,4,9H2,1-3H3,(H2,16,20).
What are the key properties of 4-[4-(ethylaminomethyl)-1,3-dimethylpyrazol-5-yl]oxybenzamide?
4-[4-(ethylaminomethyl)-1,3-dimethylpyrazol-5-yl]oxybenzamide has a molecular weight of 288.35 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(ethylaminomethyl)-1,3-dimethylpyrazol-5-yl]oxybenzamide is sourced from PubChem (CID 43283512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).