2-[3-(2-aminoethyl)pyrazol-1-yl]phenol

C11H13N3O — CID 83881533

IUPAC2-[3-(2-aminoethyl)pyrazol-1-yl]phenol
SMILESNCCc1ccn(-c2ccccc2O)n1
InChIInChI=1S/C11H13N3O/c12-7-5-9-6-8-14(13-9)10-3-1-2-4-11(10)15/h1-4,6,8,15H,5,7,12H2
InChIKeyVUUHDMOCQDJUIF-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.08
Rot. Bonds3

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

2-[3-(2-aminoethyl)pyrazol-1-yl]phenol (PubChem CID 83881533) has the molecular formula C11H13N3O and a molecular weight of 203.24 g/mol. Its IUPAC name is 2-[3-(2-aminoethyl)pyrazol-1-yl]phenol.

Molecular Properties

Compound Name2-[3-(2-aminoethyl)pyrazol-1-yl]phenol
PubChem CID83881533
Molecular FormulaC11H13N3O
Molecular Weight203.24 g/mol
Exact Mass203.11
IUPAC Name2-[3-(2-aminoethyl)pyrazol-1-yl]phenol
SMILESNCCc1ccn(-c2ccccc2O)n1
InChIInChI=1S/C11H13N3O/c12-7-5-9-6-8-14(13-9)10-3-1-2-4-11(10)15/h1-4,6,8,15H,5,7,12H2
InChIKeyVUUHDMOCQDJUIF-UHFFFAOYSA-N
XLogP1.08
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-aminoethyl)pyrazol-1-yl]phenol?
The IUPAC name of 2-[3-(2-aminoethyl)pyrazol-1-yl]phenol (CID 83881533) is 2-[3-(2-aminoethyl)pyrazol-1-yl]phenol.
What is the SMILES notation for 2-[3-(2-aminoethyl)pyrazol-1-yl]phenol?
The canonical SMILES for 2-[3-(2-aminoethyl)pyrazol-1-yl]phenol is NCCc1ccn(-c2ccccc2O)n1.
What is the InChIKey of 2-[3-(2-aminoethyl)pyrazol-1-yl]phenol?
The InChIKey is VUUHDMOCQDJUIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c12-7-5-9-6-8-14(13-9)10-3-1-2-4-11(10)15/h1-4,6,8,15H,5,7,12H2.
What are the key properties of 2-[3-(2-aminoethyl)pyrazol-1-yl]phenol?
2-[3-(2-aminoethyl)pyrazol-1-yl]phenol has a molecular weight of 203.24 g/mol, XLogP of 1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-aminoethyl)pyrazol-1-yl]phenol is sourced from PubChem (CID 83881533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).