1-[2-(2-ethylphenoxy)ethyl]pyrazol-3-amine

C13H17N3O — CID 63315859

IUPAC1-[2-(2-ethylphenoxy)ethyl]pyrazol-3-amine
SMILESCCc1ccccc1OCCn1ccc(N)n1
InChIInChI=1S/C13H17N3O/c1-2-11-5-3-4-6-12(11)17-10-9-16-8-7-13(14)15-16/h3-8H,2,9-10H2,1H3,(H2,14,15)
InChIKeyIIGRQULUCAYFQJ-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.11
Rot. Bonds5

About 1-[2-(2-ethylphenoxy)ethyl]pyrazol-3-amine

1-[2-(2-ethylphenoxy)ethyl]pyrazol-3-amine (PubChem CID 63315859) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 1-[2-(2-ethylphenoxy)ethyl]pyrazol-3-amine.

Molecular Properties

Compound Name1-[2-(2-ethylphenoxy)ethyl]pyrazol-3-amine
PubChem CID63315859
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name1-[2-(2-ethylphenoxy)ethyl]pyrazol-3-amine
SMILESCCc1ccccc1OCCn1ccc(N)n1
InChIInChI=1S/C13H17N3O/c1-2-11-5-3-4-6-12(11)17-10-9-16-8-7-13(14)15-16/h3-8H,2,9-10H2,1H3,(H2,14,15)
InChIKeyIIGRQULUCAYFQJ-UHFFFAOYSA-N
XLogP2.11
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-ethylphenoxy)ethyl]pyrazol-3-amine?
The IUPAC name of 1-[2-(2-ethylphenoxy)ethyl]pyrazol-3-amine (CID 63315859) is 1-[2-(2-ethylphenoxy)ethyl]pyrazol-3-amine.
What is the SMILES notation for 1-[2-(2-ethylphenoxy)ethyl]pyrazol-3-amine?
The canonical SMILES for 1-[2-(2-ethylphenoxy)ethyl]pyrazol-3-amine is CCc1ccccc1OCCn1ccc(N)n1.
What is the InChIKey of 1-[2-(2-ethylphenoxy)ethyl]pyrazol-3-amine?
The InChIKey is IIGRQULUCAYFQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-2-11-5-3-4-6-12(11)17-10-9-16-8-7-13(14)15-16/h3-8H,2,9-10H2,1H3,(H2,14,15).
What are the key properties of 1-[2-(2-ethylphenoxy)ethyl]pyrazol-3-amine?
1-[2-(2-ethylphenoxy)ethyl]pyrazol-3-amine has a molecular weight of 231.30 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-ethylphenoxy)ethyl]pyrazol-3-amine is sourced from PubChem (CID 63315859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).