3-[4-(2-aminoethoxy)pyrazol-1-yl]phenol

C11H13N3O2 — CID 117229757

IUPAC3-[4-(2-aminoethoxy)pyrazol-1-yl]phenol
SMILESNCCOc1cnn(-c2cccc(O)c2)c1
InChIInChI=1S/C11H13N3O2/c12-4-5-16-11-7-13-14(8-11)9-2-1-3-10(15)6-9/h1-3,6-8,15H,4-5,12H2
InChIKeyYNZDGFXCZPBLSP-UHFFFAOYSA-N
MW219.24 g/mol
LogP0.92
Rot. Bonds4

About 3-[4-(2-aminoethoxy)pyrazol-1-yl]phenol

3-[4-(2-aminoethoxy)pyrazol-1-yl]phenol (PubChem CID 117229757) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 3-[4-(2-aminoethoxy)pyrazol-1-yl]phenol.

Molecular Properties

Compound Name3-[4-(2-aminoethoxy)pyrazol-1-yl]phenol
PubChem CID117229757
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name3-[4-(2-aminoethoxy)pyrazol-1-yl]phenol
SMILESNCCOc1cnn(-c2cccc(O)c2)c1
InChIInChI=1S/C11H13N3O2/c12-4-5-16-11-7-13-14(8-11)9-2-1-3-10(15)6-9/h1-3,6-8,15H,4-5,12H2
InChIKeyYNZDGFXCZPBLSP-UHFFFAOYSA-N
XLogP0.92
TPSA73.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-aminoethoxy)pyrazol-1-yl]phenol?
The IUPAC name of 3-[4-(2-aminoethoxy)pyrazol-1-yl]phenol (CID 117229757) is 3-[4-(2-aminoethoxy)pyrazol-1-yl]phenol.
What is the SMILES notation for 3-[4-(2-aminoethoxy)pyrazol-1-yl]phenol?
The canonical SMILES for 3-[4-(2-aminoethoxy)pyrazol-1-yl]phenol is NCCOc1cnn(-c2cccc(O)c2)c1.
What is the InChIKey of 3-[4-(2-aminoethoxy)pyrazol-1-yl]phenol?
The InChIKey is YNZDGFXCZPBLSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c12-4-5-16-11-7-13-14(8-11)9-2-1-3-10(15)6-9/h1-3,6-8,15H,4-5,12H2.
What are the key properties of 3-[4-(2-aminoethoxy)pyrazol-1-yl]phenol?
3-[4-(2-aminoethoxy)pyrazol-1-yl]phenol has a molecular weight of 219.24 g/mol, XLogP of 0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-aminoethoxy)pyrazol-1-yl]phenol is sourced from PubChem (CID 117229757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).