1-[2-(1,3,5-trimethylpyrazol-4-yl)oxyphenyl]propan-1-amine

C15H21N3O — CID 112678493

IUPAC1-[2-(1,3,5-trimethylpyrazol-4-yl)oxyphenyl]propan-1-amine
SMILESCCC(N)c1ccccc1Oc1c(C)nn(C)c1C
InChIInChI=1S/C15H21N3O/c1-5-13(16)12-8-6-7-9-14(12)19-15-10(2)17-18(4)11(15)3/h6-9,13H,5,16H2,1-4H3
InChIKeyLMVGGOKCWPGHIJ-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.24
Rot. Bonds4

About 1-[2-(1,3,5-trimethylpyrazol-4-yl)oxyphenyl]propan-1-amine

1-[2-(1,3,5-trimethylpyrazol-4-yl)oxyphenyl]propan-1-amine (PubChem CID 112678493) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 1-[2-(1,3,5-trimethylpyrazol-4-yl)oxyphenyl]propan-1-amine.

Molecular Properties

Compound Name1-[2-(1,3,5-trimethylpyrazol-4-yl)oxyphenyl]propan-1-amine
PubChem CID112678493
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name1-[2-(1,3,5-trimethylpyrazol-4-yl)oxyphenyl]propan-1-amine
SMILESCCC(N)c1ccccc1Oc1c(C)nn(C)c1C
InChIInChI=1S/C15H21N3O/c1-5-13(16)12-8-6-7-9-14(12)19-15-10(2)17-18(4)11(15)3/h6-9,13H,5,16H2,1-4H3
InChIKeyLMVGGOKCWPGHIJ-UHFFFAOYSA-N
XLogP3.24
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-(2-Aminoethyl)-3,5-diethyl-pyrazol-4-yl]oxy-5-methyl-benzonitrile
CID 21949814
3-[1-(2-Aminoethyl)-3,5-diethyl-pyrazol-4-yl]oxybenzonitrile
CID 9921887
3-[1-(2-Aminoethyl)-3,5-diethyl-pyrazol-4-yl]oxy-5-fluoro-benzonitrile
CID 21949771
5-[1-(2-Aminoethyl)-3,5-diethyl-pyrazol-4-yl]oxybenzene-1,3-dicarbonitrile
CID 21949799
5-[2-(4,5-dihydro-1H-imidazol-2-ylmethoxy)phenyl]-1-methylpyrazole
CID 10083742
1-(3,5-dimethyl-1H-pyrazol-1-yl)-3-(2-methylphenoxy)propan-2-ol
CID 3133155
5-(2-Methoxyphenyl)-1-methyl-1H-pyrazole
CID 21722232
2-[3,5-Diethyl-4-(4-fluoro-3-methyl-phenoxy)pyrazol-1-yl]ethanol
CID 9857241
US10183913, Example 248
CID 138375374
4,5-Dihydro-1,3-dimethyl-1,H-pyrazolo-(3,4-b)(1,4)-benzoxazepine
CID 198139
Pyrazole, 1-benzyl-3-methyl-5-(2-(methylamino)ethoxy)-
CID 202735
N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 43223516

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,3,5-trimethylpyrazol-4-yl)oxyphenyl]propan-1-amine?
The IUPAC name of 1-[2-(1,3,5-trimethylpyrazol-4-yl)oxyphenyl]propan-1-amine (CID 112678493) is 1-[2-(1,3,5-trimethylpyrazol-4-yl)oxyphenyl]propan-1-amine.
What is the SMILES notation for 1-[2-(1,3,5-trimethylpyrazol-4-yl)oxyphenyl]propan-1-amine?
The canonical SMILES for 1-[2-(1,3,5-trimethylpyrazol-4-yl)oxyphenyl]propan-1-amine is CCC(N)c1ccccc1Oc1c(C)nn(C)c1C.
What is the InChIKey of 1-[2-(1,3,5-trimethylpyrazol-4-yl)oxyphenyl]propan-1-amine?
The InChIKey is LMVGGOKCWPGHIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-5-13(16)12-8-6-7-9-14(12)19-15-10(2)17-18(4)11(15)3/h6-9,13H,5,16H2,1-4H3.
What are the key properties of 1-[2-(1,3,5-trimethylpyrazol-4-yl)oxyphenyl]propan-1-amine?
1-[2-(1,3,5-trimethylpyrazol-4-yl)oxyphenyl]propan-1-amine has a molecular weight of 259.35 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,3,5-trimethylpyrazol-4-yl)oxyphenyl]propan-1-amine is sourced from PubChem (CID 112678493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).