1-[2-(2-tert-butyl-5-methylphenoxy)ethyl]pyrazol-3-amine

C16H23N3O — CID 63316422

IUPAC1-[2-(2-tert-butyl-5-methylphenoxy)ethyl]pyrazol-3-amine
SMILESCc1ccc(C(C)(C)C)c(OCCn2ccc(N)n2)c1
InChIInChI=1S/C16H23N3O/c1-12-5-6-13(16(2,3)4)14(11-12)20-10-9-19-8-7-15(17)18-19/h5-8,11H,9-10H2,1-4H3,(H2,17,18)
InChIKeyAOQTYLHRFFULRJ-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.15
Rot. Bonds4

About 1-[2-(2-tert-butyl-5-methylphenoxy)ethyl]pyrazol-3-amine

1-[2-(2-tert-butyl-5-methylphenoxy)ethyl]pyrazol-3-amine (PubChem CID 63316422) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-[2-(2-tert-butyl-5-methylphenoxy)ethyl]pyrazol-3-amine.

Molecular Properties

Compound Name1-[2-(2-tert-butyl-5-methylphenoxy)ethyl]pyrazol-3-amine
PubChem CID63316422
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name1-[2-(2-tert-butyl-5-methylphenoxy)ethyl]pyrazol-3-amine
SMILESCc1ccc(C(C)(C)C)c(OCCn2ccc(N)n2)c1
InChIInChI=1S/C16H23N3O/c1-12-5-6-13(16(2,3)4)14(11-12)20-10-9-19-8-7-15(17)18-19/h5-8,11H,9-10H2,1-4H3,(H2,17,18)
InChIKeyAOQTYLHRFFULRJ-UHFFFAOYSA-N
XLogP3.15
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2-fluoro-5-methylphenoxy)ethyl]pyrazol-3-amine
CID 64853417
1-[2-(2,4-dimethylphenoxy)ethyl]pyrazol-3-amine
CID 63316415
1-[2-(2,3,5-trimethylphenoxy)ethyl]pyrazol-3-amine
CID 63316162
1-[2-[2-(trifluoromethyl)phenoxy]ethyl]pyrazol-3-amine
CID 63316113
1-tert-butyl-2-(2-chloroethoxy)-4-methylbenzene
CID 43135637
1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazol-3-amine
CID 63316247
1-[2-(3,4-dimethylphenoxy)ethyl]pyrazol-3-amine
CID 63316031
1-[3-(4-methylphenoxy)propyl]pyrazol-3-amine
CID 63311157
1-[2-(2-ethylphenoxy)ethyl]pyrazol-3-amine
CID 63315859
1-[2-(2-bromo-4-methoxyphenoxy)ethyl]pyrazol-3-amine
CID 104706819
2-(4-bromobutoxy)-1-tert-butyl-4-methylbenzene
CID 43165224
1-[(2,4-dimethylphenoxy)methyl]pyrazol-3-amine
CID 19618300

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-tert-butyl-5-methylphenoxy)ethyl]pyrazol-3-amine?
The IUPAC name of 1-[2-(2-tert-butyl-5-methylphenoxy)ethyl]pyrazol-3-amine (CID 63316422) is 1-[2-(2-tert-butyl-5-methylphenoxy)ethyl]pyrazol-3-amine.
What is the SMILES notation for 1-[2-(2-tert-butyl-5-methylphenoxy)ethyl]pyrazol-3-amine?
The canonical SMILES for 1-[2-(2-tert-butyl-5-methylphenoxy)ethyl]pyrazol-3-amine is Cc1ccc(C(C)(C)C)c(OCCn2ccc(N)n2)c1.
What is the InChIKey of 1-[2-(2-tert-butyl-5-methylphenoxy)ethyl]pyrazol-3-amine?
The InChIKey is AOQTYLHRFFULRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-12-5-6-13(16(2,3)4)14(11-12)20-10-9-19-8-7-15(17)18-19/h5-8,11H,9-10H2,1-4H3,(H2,17,18).
What are the key properties of 1-[2-(2-tert-butyl-5-methylphenoxy)ethyl]pyrazol-3-amine?
1-[2-(2-tert-butyl-5-methylphenoxy)ethyl]pyrazol-3-amine has a molecular weight of 273.38 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-tert-butyl-5-methylphenoxy)ethyl]pyrazol-3-amine is sourced from PubChem (CID 63316422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).