5-(3-tert-butylphenoxy)-1-ethyl-3-methylpyrazol-4-amine

C16H23N3O — CID 66011718

IUPAC5-(3-tert-butylphenoxy)-1-ethyl-3-methylpyrazol-4-amine
SMILESCCn1nc(C)c(N)c1Oc1cccc(C(C)(C)C)c1
InChIInChI=1S/C16H23N3O/c1-6-19-15(14(17)11(2)18-19)20-13-9-7-8-12(10-13)16(3,4)5/h7-10H,6,17H2,1-5H3
InChIKeyLWIMXHWJCRHFEJ-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.88
Rot. Bonds3

About 5-(3-tert-butylphenoxy)-1-ethyl-3-methylpyrazol-4-amine

5-(3-tert-butylphenoxy)-1-ethyl-3-methylpyrazol-4-amine (PubChem CID 66011718) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 5-(3-tert-butylphenoxy)-1-ethyl-3-methylpyrazol-4-amine.

Molecular Properties

Compound Name5-(3-tert-butylphenoxy)-1-ethyl-3-methylpyrazol-4-amine
PubChem CID66011718
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name5-(3-tert-butylphenoxy)-1-ethyl-3-methylpyrazol-4-amine
SMILESCCn1nc(C)c(N)c1Oc1cccc(C(C)(C)C)c1
InChIInChI=1S/C16H23N3O/c1-6-19-15(14(17)11(2)18-19)20-13-9-7-8-12(10-13)16(3,4)5/h7-10H,6,17H2,1-5H3
InChIKeyLWIMXHWJCRHFEJ-UHFFFAOYSA-N
XLogP3.88
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-5-[3-(methoxymethyl)phenoxy]-3-methylpyrazol-4-amine
CID 66012305
5-(3,4-difluorophenoxy)-1-ethyl-3-methylpyrazol-4-amine
CID 66012495
5-(3-fluorophenoxy)-3-methyl-1-propylpyrazol-4-amine
CID 66028842
5-(2,6-dimethoxyphenoxy)-1-ethyl-3-methylpyrazol-4-amine
CID 66013664
5-[(5-bromo-3-pyridinyl)oxy]-1-ethyl-3-methylpyrazol-4-amine
CID 66012695
1-ethyl-5-[(3-methoxyphenyl)methoxy]-3-methylpyrazol-4-amine
CID 66012494
5-(2-chlorophenoxy)-1-ethyl-3-methylpyrazol-4-amine
CID 66012101
5-(3-bromo-5-fluorophenoxy)-1-ethyl-3-methylpyrazol-4-amine
CID 81322300
5-(2,5-dichlorophenoxy)-1-ethyl-3-methylpyrazol-4-amine
CID 66011123
5-(2,4-dibromophenoxy)-1-ethyl-3-methylpyrazol-4-amine
CID 66012891
[2-(4-amino-1-ethyl-3-methylpyrazol-5-yl)oxyphenyl]methanol
CID 66012110
5-(3-tert-butylphenoxy)-1,3-dimethylpyrazole-4-carbothioamide
CID 63752126

Frequently Asked Questions

What is the IUPAC name of 5-(3-tert-butylphenoxy)-1-ethyl-3-methylpyrazol-4-amine?
The IUPAC name of 5-(3-tert-butylphenoxy)-1-ethyl-3-methylpyrazol-4-amine (CID 66011718) is 5-(3-tert-butylphenoxy)-1-ethyl-3-methylpyrazol-4-amine.
What is the SMILES notation for 5-(3-tert-butylphenoxy)-1-ethyl-3-methylpyrazol-4-amine?
The canonical SMILES for 5-(3-tert-butylphenoxy)-1-ethyl-3-methylpyrazol-4-amine is CCn1nc(C)c(N)c1Oc1cccc(C(C)(C)C)c1.
What is the InChIKey of 5-(3-tert-butylphenoxy)-1-ethyl-3-methylpyrazol-4-amine?
The InChIKey is LWIMXHWJCRHFEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-6-19-15(14(17)11(2)18-19)20-13-9-7-8-12(10-13)16(3,4)5/h7-10H,6,17H2,1-5H3.
What are the key properties of 5-(3-tert-butylphenoxy)-1-ethyl-3-methylpyrazol-4-amine?
5-(3-tert-butylphenoxy)-1-ethyl-3-methylpyrazol-4-amine has a molecular weight of 273.38 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-tert-butylphenoxy)-1-ethyl-3-methylpyrazol-4-amine is sourced from PubChem (CID 66011718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).