N-[[5-(1-ethylpyrazol-4-yl)oxy-1,3-dimethylpyrazol-4-yl]methyl]ethanamine

C13H21N5O — CID 116802161

IUPACN-[[5-(1-ethylpyrazol-4-yl)oxy-1,3-dimethylpyrazol-4-yl]methyl]ethanamine
SMILESCCNCc1c(C)nn(C)c1Oc1cnn(CC)c1
InChIInChI=1S/C13H21N5O/c1-5-14-8-12-10(3)16-17(4)13(12)19-11-7-15-18(6-2)9-11/h7,9,14H,5-6,8H2,1-4H3
InChIKeyQPJIMNWBCSNXPY-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.85
Rot. Bonds6

About N-[[5-(1-ethylpyrazol-4-yl)oxy-1,3-dimethylpyrazol-4-yl]methyl]ethanamine

N-[[5-(1-ethylpyrazol-4-yl)oxy-1,3-dimethylpyrazol-4-yl]methyl]ethanamine (PubChem CID 116802161) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is N-[[5-(1-ethylpyrazol-4-yl)oxy-1,3-dimethylpyrazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(1-ethylpyrazol-4-yl)oxy-1,3-dimethylpyrazol-4-yl]methyl]ethanamine
PubChem CID116802161
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC NameN-[[5-(1-ethylpyrazol-4-yl)oxy-1,3-dimethylpyrazol-4-yl]methyl]ethanamine
SMILESCCNCc1c(C)nn(C)c1Oc1cnn(CC)c1
InChIInChI=1S/C13H21N5O/c1-5-14-8-12-10(3)16-17(4)13(12)19-11-7-15-18(6-2)9-11/h7,9,14H,5-6,8H2,1-4H3
InChIKeyQPJIMNWBCSNXPY-UHFFFAOYSA-N
XLogP1.85
TPSA56.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[1,3-dimethyl-5-(1-methylpyrazol-4-yl)oxypyrazol-4-yl]methyl]ethanamine
CID 116793112
4-(bromomethyl)-5-(1-ethylpyrazol-4-yl)oxy-1,3-dimethylpyrazole
CID 107089254
N-[(1,3-dimethyl-5-phenoxypyrazol-4-yl)methyl]ethanamine
CID 43283185
N-[[1,3-dimethyl-5-(1-propylpyrazol-4-yl)oxypyrazol-4-yl]methyl]propan-2-amine
CID 116802238
2-[4-[4-(ethylaminomethyl)-1,3-dimethylpyrazol-5-yl]oxyphenyl]ethanol
CID 107709326
4-[4-(ethylaminomethyl)-1,3-dimethylpyrazol-5-yl]oxybenzamide
CID 43283512
N-[[5-(4-chloro-3-methylphenoxy)-1,3-dimethylpyrazol-4-yl]methyl]ethanamine
CID 43282341
N-[[1,3-dimethyl-5-(2-methylphenoxy)pyrazol-4-yl]methyl]ethanamine
CID 43283129
N-[[2-(1-ethylpyrazol-4-yl)oxy-6-methyl-4-pyridinyl]methyl]ethanamine
CID 116802886
N-[[5-(2-fluoro-5-methylphenoxy)-1,3-dimethylpyrazol-4-yl]methyl]ethanamine
CID 64855617
N-[[2-(1-ethylpyrazol-4-yl)oxy-3-fluoro-4-pyridinyl]methyl]ethanamine
CID 105391771
N-[[5-(4-chlorophenoxy)-1,3-dimethylpyrazol-4-yl]methyl]propan-1-amine
CID 43282981

Frequently Asked Questions

What is the IUPAC name of N-[[5-(1-ethylpyrazol-4-yl)oxy-1,3-dimethylpyrazol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[5-(1-ethylpyrazol-4-yl)oxy-1,3-dimethylpyrazol-4-yl]methyl]ethanamine (CID 116802161) is N-[[5-(1-ethylpyrazol-4-yl)oxy-1,3-dimethylpyrazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-(1-ethylpyrazol-4-yl)oxy-1,3-dimethylpyrazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-(1-ethylpyrazol-4-yl)oxy-1,3-dimethylpyrazol-4-yl]methyl]ethanamine is CCNCc1c(C)nn(C)c1Oc1cnn(CC)c1.
What is the InChIKey of N-[[5-(1-ethylpyrazol-4-yl)oxy-1,3-dimethylpyrazol-4-yl]methyl]ethanamine?
The InChIKey is QPJIMNWBCSNXPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-5-14-8-12-10(3)16-17(4)13(12)19-11-7-15-18(6-2)9-11/h7,9,14H,5-6,8H2,1-4H3.
What are the key properties of N-[[5-(1-ethylpyrazol-4-yl)oxy-1,3-dimethylpyrazol-4-yl]methyl]ethanamine?
N-[[5-(1-ethylpyrazol-4-yl)oxy-1,3-dimethylpyrazol-4-yl]methyl]ethanamine has a molecular weight of 263.34 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(1-ethylpyrazol-4-yl)oxy-1,3-dimethylpyrazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 116802161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).