N-[[1,3-dimethyl-5-(1-methylpyrazol-4-yl)oxypyrazol-4-yl]methyl]ethanamine

C12H19N5O — CID 116793112

IUPACN-[[1,3-dimethyl-5-(1-methylpyrazol-4-yl)oxypyrazol-4-yl]methyl]ethanamine
SMILESCCNCc1c(C)nn(C)c1Oc1cnn(C)c1
InChIInChI=1S/C12H19N5O/c1-5-13-7-11-9(2)15-17(4)12(11)18-10-6-14-16(3)8-10/h6,8,13H,5,7H2,1-4H3
InChIKeyAYLRSXFAKAWBRN-UHFFFAOYSA-N
MW249.32 g/mol
LogP1.36
Rot. Bonds5

About N-[[1,3-dimethyl-5-(1-methylpyrazol-4-yl)oxypyrazol-4-yl]methyl]ethanamine

N-[[1,3-dimethyl-5-(1-methylpyrazol-4-yl)oxypyrazol-4-yl]methyl]ethanamine (PubChem CID 116793112) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is N-[[1,3-dimethyl-5-(1-methylpyrazol-4-yl)oxypyrazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1,3-dimethyl-5-(1-methylpyrazol-4-yl)oxypyrazol-4-yl]methyl]ethanamine
PubChem CID116793112
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC NameN-[[1,3-dimethyl-5-(1-methylpyrazol-4-yl)oxypyrazol-4-yl]methyl]ethanamine
SMILESCCNCc1c(C)nn(C)c1Oc1cnn(C)c1
InChIInChI=1S/C12H19N5O/c1-5-13-7-11-9(2)15-17(4)12(11)18-10-6-14-16(3)8-10/h6,8,13H,5,7H2,1-4H3
InChIKeyAYLRSXFAKAWBRN-UHFFFAOYSA-N
XLogP1.36
TPSA56.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[5-(1-ethylpyrazol-4-yl)oxy-1,3-dimethylpyrazol-4-yl]methyl]ethanamine
CID 116802161
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
4-[4-(ethylaminomethyl)-1,3-dimethylpyrazol-5-yl]oxybenzamide
CID 43283512
1,3-dimethyl-5-(1-methylpyrazol-4-yl)oxypyrazol-4-amine
CID 116792438
N-[[1,3-dimethyl-5-(2-methylphenoxy)pyrazol-4-yl]methyl]ethanamine
CID 43283129
N-[[1,3-dimethyl-5-(1-propylpyrazol-4-yl)oxypyrazol-4-yl]methyl]propan-2-amine
CID 116802238
4-(bromomethyl)-5-(1-ethylpyrazol-4-yl)oxy-1,3-dimethylpyrazole
CID 107089254
N-[[5-(2-fluoro-5-methylphenoxy)-1,3-dimethylpyrazol-4-yl]methyl]ethanamine
CID 64855617
N-[[5-(4-chlorophenoxy)-1,3-dimethylpyrazol-4-yl]methyl]propan-1-amine
CID 43282981
3-[[(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)methylamino]methyl]pentan-3-ol
CID 111916604

Frequently Asked Questions

What is the IUPAC name of N-[[1,3-dimethyl-5-(1-methylpyrazol-4-yl)oxypyrazol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[1,3-dimethyl-5-(1-methylpyrazol-4-yl)oxypyrazol-4-yl]methyl]ethanamine (CID 116793112) is N-[[1,3-dimethyl-5-(1-methylpyrazol-4-yl)oxypyrazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1,3-dimethyl-5-(1-methylpyrazol-4-yl)oxypyrazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[1,3-dimethyl-5-(1-methylpyrazol-4-yl)oxypyrazol-4-yl]methyl]ethanamine is CCNCc1c(C)nn(C)c1Oc1cnn(C)c1.
What is the InChIKey of N-[[1,3-dimethyl-5-(1-methylpyrazol-4-yl)oxypyrazol-4-yl]methyl]ethanamine?
The InChIKey is AYLRSXFAKAWBRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c1-5-13-7-11-9(2)15-17(4)12(11)18-10-6-14-16(3)8-10/h6,8,13H,5,7H2,1-4H3.
What are the key properties of N-[[1,3-dimethyl-5-(1-methylpyrazol-4-yl)oxypyrazol-4-yl]methyl]ethanamine?
N-[[1,3-dimethyl-5-(1-methylpyrazol-4-yl)oxypyrazol-4-yl]methyl]ethanamine has a molecular weight of 249.32 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1,3-dimethyl-5-(1-methylpyrazol-4-yl)oxypyrazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 116793112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).