2-[1,3-dimethyl-5-(2-methylphenoxy)pyrazol-4-yl]ethanamine

C14H19N3O — CID 63802598

IUPAC2-[1,3-dimethyl-5-(2-methylphenoxy)pyrazol-4-yl]ethanamine
SMILESCc1ccccc1Oc1c(CCN)c(C)nn1C
InChIInChI=1S/C14H19N3O/c1-10-6-4-5-7-13(10)18-14-12(8-9-15)11(2)16-17(14)3/h4-7H,8-9,15H2,1-3H3
InChIKeyXWZMEXVWVYXEBK-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.33
Rot. Bonds4

About 2-[1,3-dimethyl-5-(2-methylphenoxy)pyrazol-4-yl]ethanamine

2-[1,3-dimethyl-5-(2-methylphenoxy)pyrazol-4-yl]ethanamine (PubChem CID 63802598) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-[1,3-dimethyl-5-(2-methylphenoxy)pyrazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[1,3-dimethyl-5-(2-methylphenoxy)pyrazol-4-yl]ethanamine
PubChem CID63802598
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name2-[1,3-dimethyl-5-(2-methylphenoxy)pyrazol-4-yl]ethanamine
SMILESCc1ccccc1Oc1c(CCN)c(C)nn1C
InChIInChI=1S/C14H19N3O/c1-10-6-4-5-7-13(10)18-14-12(8-9-15)11(2)16-17(14)3/h4-7H,8-9,15H2,1-3H3
InChIKeyXWZMEXVWVYXEBK-UHFFFAOYSA-N
XLogP2.33
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-(2,6-dimethoxyphenoxy)-1,3-dimethylpyrazol-4-yl]ethanamine
CID 63815246
N-[[1,3-dimethyl-5-(2-methylphenoxy)pyrazol-4-yl]methyl]ethanamine
CID 43283129
2-[5-methoxy-1-(2-methoxyphenyl)-3-methylpyrazol-4-yl]ethanamine
CID 117123596
2-[5-[4-(2-methoxyethyl)phenoxy]-1,3-dimethylpyrazol-4-yl]ethanamine
CID 63803142
2-[5-(4-chloro-3-fluorophenoxy)-1,3-dimethylpyrazol-4-yl]ethanamine
CID 82726959
[5-(2-iodophenoxy)-1,3-dimethylpyrazol-4-yl]methanol
CID 43479792
1-[5-(2-ethoxyphenoxy)-1,3-dimethylpyrazol-4-yl]propan-2-amine
CID 63817513
[5-(5-fluoro-2-methylphenoxy)-1,3-dimethylpyrazol-4-yl]methanol
CID 102989934
[5-(2,6-dimethylphenoxy)-1,3-dimethylpyrazol-4-yl]methanol
CID 28964058
3-methyl-5-(2-methylphenoxy)-1-propylpyrazol-4-amine
CID 66028263
1-[5-(2,3-difluorophenoxy)-1,3-dimethylpyrazol-4-yl]-N-methylmethanamine
CID 63036962
N-[[5-(2-methoxyphenoxy)-1,3-dimethylpyrazol-4-yl]methyl]propan-2-amine
CID 43283294

Frequently Asked Questions

What is the IUPAC name of 2-[1,3-dimethyl-5-(2-methylphenoxy)pyrazol-4-yl]ethanamine?
The IUPAC name of 2-[1,3-dimethyl-5-(2-methylphenoxy)pyrazol-4-yl]ethanamine (CID 63802598) is 2-[1,3-dimethyl-5-(2-methylphenoxy)pyrazol-4-yl]ethanamine.
What is the SMILES notation for 2-[1,3-dimethyl-5-(2-methylphenoxy)pyrazol-4-yl]ethanamine?
The canonical SMILES for 2-[1,3-dimethyl-5-(2-methylphenoxy)pyrazol-4-yl]ethanamine is Cc1ccccc1Oc1c(CCN)c(C)nn1C.
What is the InChIKey of 2-[1,3-dimethyl-5-(2-methylphenoxy)pyrazol-4-yl]ethanamine?
The InChIKey is XWZMEXVWVYXEBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-10-6-4-5-7-13(10)18-14-12(8-9-15)11(2)16-17(14)3/h4-7H,8-9,15H2,1-3H3.
What are the key properties of 2-[1,3-dimethyl-5-(2-methylphenoxy)pyrazol-4-yl]ethanamine?
2-[1,3-dimethyl-5-(2-methylphenoxy)pyrazol-4-yl]ethanamine has a molecular weight of 245.33 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,3-dimethyl-5-(2-methylphenoxy)pyrazol-4-yl]ethanamine is sourced from PubChem (CID 63802598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).