1-[2-(2,3,5-trimethylphenoxy)ethyl]pyrazol-3-amine

C14H19N3O — CID 63316162

IUPAC1-[2-(2,3,5-trimethylphenoxy)ethyl]pyrazol-3-amine
SMILESCc1cc(C)c(C)c(OCCn2ccc(N)n2)c1
InChIInChI=1S/C14H19N3O/c1-10-8-11(2)12(3)13(9-10)18-7-6-17-5-4-14(15)16-17/h4-5,8-9H,6-7H2,1-3H3,(H2,15,16)
InChIKeyOPXRNGICYCXIHP-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.47
Rot. Bonds4

About 1-[2-(2,3,5-trimethylphenoxy)ethyl]pyrazol-3-amine

1-[2-(2,3,5-trimethylphenoxy)ethyl]pyrazol-3-amine (PubChem CID 63316162) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 1-[2-(2,3,5-trimethylphenoxy)ethyl]pyrazol-3-amine.

Molecular Properties

Compound Name1-[2-(2,3,5-trimethylphenoxy)ethyl]pyrazol-3-amine
PubChem CID63316162
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name1-[2-(2,3,5-trimethylphenoxy)ethyl]pyrazol-3-amine
SMILESCc1cc(C)c(C)c(OCCn2ccc(N)n2)c1
InChIInChI=1S/C14H19N3O/c1-10-8-11(2)12(3)13(9-10)18-7-6-17-5-4-14(15)16-17/h4-5,8-9H,6-7H2,1-3H3,(H2,15,16)
InChIKeyOPXRNGICYCXIHP-UHFFFAOYSA-N
XLogP2.47
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3,5-trimethylphenoxy)ethyl]pyrazol-3-amine?
The IUPAC name of 1-[2-(2,3,5-trimethylphenoxy)ethyl]pyrazol-3-amine (CID 63316162) is 1-[2-(2,3,5-trimethylphenoxy)ethyl]pyrazol-3-amine.
What is the SMILES notation for 1-[2-(2,3,5-trimethylphenoxy)ethyl]pyrazol-3-amine?
The canonical SMILES for 1-[2-(2,3,5-trimethylphenoxy)ethyl]pyrazol-3-amine is Cc1cc(C)c(C)c(OCCn2ccc(N)n2)c1.
What is the InChIKey of 1-[2-(2,3,5-trimethylphenoxy)ethyl]pyrazol-3-amine?
The InChIKey is OPXRNGICYCXIHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-10-8-11(2)12(3)13(9-10)18-7-6-17-5-4-14(15)16-17/h4-5,8-9H,6-7H2,1-3H3,(H2,15,16).
What are the key properties of 1-[2-(2,3,5-trimethylphenoxy)ethyl]pyrazol-3-amine?
1-[2-(2,3,5-trimethylphenoxy)ethyl]pyrazol-3-amine has a molecular weight of 245.33 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3,5-trimethylphenoxy)ethyl]pyrazol-3-amine is sourced from PubChem (CID 63316162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).