1-[2-(2-tert-butyl-4-ethylphenoxy)ethyl]pyrazol-4-amine

C17H25N3O — CID 62137713

IUPAC1-[2-(2-tert-butyl-4-ethylphenoxy)ethyl]pyrazol-4-amine
SMILESCCc1ccc(OCCn2cc(N)cn2)c(C(C)(C)C)c1
InChIInChI=1S/C17H25N3O/c1-5-13-6-7-16(15(10-13)17(2,3)4)21-9-8-20-12-14(18)11-19-20/h6-7,10-12H,5,8-9,18H2,1-4H3
InChIKeyPNLXQPRCEMWQNZ-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.40
Rot. Bonds5

About 1-[2-(2-tert-butyl-4-ethylphenoxy)ethyl]pyrazol-4-amine

1-[2-(2-tert-butyl-4-ethylphenoxy)ethyl]pyrazol-4-amine (PubChem CID 62137713) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 1-[2-(2-tert-butyl-4-ethylphenoxy)ethyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-[2-(2-tert-butyl-4-ethylphenoxy)ethyl]pyrazol-4-amine
PubChem CID62137713
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name1-[2-(2-tert-butyl-4-ethylphenoxy)ethyl]pyrazol-4-amine
SMILESCCc1ccc(OCCn2cc(N)cn2)c(C(C)(C)C)c1
InChIInChI=1S/C17H25N3O/c1-5-13-6-7-16(15(10-13)17(2,3)4)21-9-8-20-12-14(18)11-19-20/h6-7,10-12H,5,8-9,18H2,1-4H3
InChIKeyPNLXQPRCEMWQNZ-UHFFFAOYSA-N
XLogP3.40
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-tert-butyl-4-ethylphenoxy)ethyl]pyrazol-4-amine?
The IUPAC name of 1-[2-(2-tert-butyl-4-ethylphenoxy)ethyl]pyrazol-4-amine (CID 62137713) is 1-[2-(2-tert-butyl-4-ethylphenoxy)ethyl]pyrazol-4-amine.
What is the SMILES notation for 1-[2-(2-tert-butyl-4-ethylphenoxy)ethyl]pyrazol-4-amine?
The canonical SMILES for 1-[2-(2-tert-butyl-4-ethylphenoxy)ethyl]pyrazol-4-amine is CCc1ccc(OCCn2cc(N)cn2)c(C(C)(C)C)c1.
What is the InChIKey of 1-[2-(2-tert-butyl-4-ethylphenoxy)ethyl]pyrazol-4-amine?
The InChIKey is PNLXQPRCEMWQNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-5-13-6-7-16(15(10-13)17(2,3)4)21-9-8-20-12-14(18)11-19-20/h6-7,10-12H,5,8-9,18H2,1-4H3.
What are the key properties of 1-[2-(2-tert-butyl-4-ethylphenoxy)ethyl]pyrazol-4-amine?
1-[2-(2-tert-butyl-4-ethylphenoxy)ethyl]pyrazol-4-amine has a molecular weight of 287.41 g/mol, XLogP of 3.40, 5 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-4-ethylphenoxy)ethyl]pyrazol-4-amine is sourced from PubChem (CID 62137713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).