1-[2-(4-propan-2-ylphenoxy)ethyl]pyrazol-3-amine

C14H19N3O — CID 63316417

IUPAC1-[2-(4-propan-2-ylphenoxy)ethyl]pyrazol-3-amine
SMILESCC(C)c1ccc(OCCn2ccc(N)n2)cc1
InChIInChI=1S/C14H19N3O/c1-11(2)12-3-5-13(6-4-12)18-10-9-17-8-7-14(15)16-17/h3-8,11H,9-10H2,1-2H3,(H2,15,16)
InChIKeyUHNNKIKOZOFFIF-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.67
Rot. Bonds5

About 1-[2-(4-propan-2-ylphenoxy)ethyl]pyrazol-3-amine

1-[2-(4-propan-2-ylphenoxy)ethyl]pyrazol-3-amine (PubChem CID 63316417) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 1-[2-(4-propan-2-ylphenoxy)ethyl]pyrazol-3-amine.

Molecular Properties

Compound Name1-[2-(4-propan-2-ylphenoxy)ethyl]pyrazol-3-amine
PubChem CID63316417
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name1-[2-(4-propan-2-ylphenoxy)ethyl]pyrazol-3-amine
SMILESCC(C)c1ccc(OCCn2ccc(N)n2)cc1
InChIInChI=1S/C14H19N3O/c1-11(2)12-3-5-13(6-4-12)18-10-9-17-8-7-14(15)16-17/h3-8,11H,9-10H2,1-2H3,(H2,15,16)
InChIKeyUHNNKIKOZOFFIF-UHFFFAOYSA-N
XLogP2.67
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-(4-propan-2-ylphenoxy)ethyl]pyrazol-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-propan-2-ylphenoxy)ethyl]pyrazol-3-amine?
The IUPAC name of 1-[2-(4-propan-2-ylphenoxy)ethyl]pyrazol-3-amine (CID 63316417) is 1-[2-(4-propan-2-ylphenoxy)ethyl]pyrazol-3-amine.
What is the SMILES notation for 1-[2-(4-propan-2-ylphenoxy)ethyl]pyrazol-3-amine?
The canonical SMILES for 1-[2-(4-propan-2-ylphenoxy)ethyl]pyrazol-3-amine is CC(C)c1ccc(OCCn2ccc(N)n2)cc1.
What is the InChIKey of 1-[2-(4-propan-2-ylphenoxy)ethyl]pyrazol-3-amine?
The InChIKey is UHNNKIKOZOFFIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-11(2)12-3-5-13(6-4-12)18-10-9-17-8-7-14(15)16-17/h3-8,11H,9-10H2,1-2H3,(H2,15,16).
What are the key properties of 1-[2-(4-propan-2-ylphenoxy)ethyl]pyrazol-3-amine?
1-[2-(4-propan-2-ylphenoxy)ethyl]pyrazol-3-amine has a molecular weight of 245.33 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-propan-2-ylphenoxy)ethyl]pyrazol-3-amine is sourced from PubChem (CID 63316417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).