3-[2-(4-aminopyrazol-1-yl)-1-hydroxyethyl]phenol

C11H13N3O2 — CID 115031261

IUPAC3-[2-(4-aminopyrazol-1-yl)-1-hydroxyethyl]phenol
SMILESNc1cnn(CC(O)c2cccc(O)c2)c1
InChIInChI=1S/C11H13N3O2/c12-9-5-13-14(6-9)7-11(16)8-2-1-3-10(15)4-8/h1-6,11,15-16H,7,12H2
InChIKeyJWMPZOGYKWBNQF-UHFFFAOYSA-N
MW219.24 g/mol
LogP0.90
Rot. Bonds3

About 3-[2-(4-aminopyrazol-1-yl)-1-hydroxyethyl]phenol

3-[2-(4-aminopyrazol-1-yl)-1-hydroxyethyl]phenol (PubChem CID 115031261) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 3-[2-(4-aminopyrazol-1-yl)-1-hydroxyethyl]phenol.

Molecular Properties

Compound Name3-[2-(4-aminopyrazol-1-yl)-1-hydroxyethyl]phenol
PubChem CID115031261
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name3-[2-(4-aminopyrazol-1-yl)-1-hydroxyethyl]phenol
SMILESNc1cnn(CC(O)c2cccc(O)c2)c1
InChIInChI=1S/C11H13N3O2/c12-9-5-13-14(6-9)7-11(16)8-2-1-3-10(15)4-8/h1-6,11,15-16H,7,12H2
InChIKeyJWMPZOGYKWBNQF-UHFFFAOYSA-N
XLogP0.90
TPSA84.30 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-aminopyrazol-1-yl)-1-hydroxyethyl]phenol?
The IUPAC name of 3-[2-(4-aminopyrazol-1-yl)-1-hydroxyethyl]phenol (CID 115031261) is 3-[2-(4-aminopyrazol-1-yl)-1-hydroxyethyl]phenol.
What is the SMILES notation for 3-[2-(4-aminopyrazol-1-yl)-1-hydroxyethyl]phenol?
The canonical SMILES for 3-[2-(4-aminopyrazol-1-yl)-1-hydroxyethyl]phenol is Nc1cnn(CC(O)c2cccc(O)c2)c1.
What is the InChIKey of 3-[2-(4-aminopyrazol-1-yl)-1-hydroxyethyl]phenol?
The InChIKey is JWMPZOGYKWBNQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c12-9-5-13-14(6-9)7-11(16)8-2-1-3-10(15)4-8/h1-6,11,15-16H,7,12H2.
What are the key properties of 3-[2-(4-aminopyrazol-1-yl)-1-hydroxyethyl]phenol?
3-[2-(4-aminopyrazol-1-yl)-1-hydroxyethyl]phenol has a molecular weight of 219.24 g/mol, XLogP of 0.90, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-aminopyrazol-1-yl)-1-hydroxyethyl]phenol is sourced from PubChem (CID 115031261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).