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

C11H14N4O — CID 83888216

IUPAC2-[3-amino-4-(2-aminoethyl)pyrazol-1-yl]phenol
SMILESNCCc1cn(-c2ccccc2O)nc1N
InChIInChI=1S/C11H14N4O/c12-6-5-8-7-15(14-11(8)13)9-3-1-2-4-10(9)16/h1-4,7,16H,5-6,12H2,(H2,13,14)
InChIKeyGMZPZGCYHGUYNU-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.66
Rot. Bonds3

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

2-[3-amino-4-(2-aminoethyl)pyrazol-1-yl]phenol (PubChem CID 83888216) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 2-[3-amino-4-(2-aminoethyl)pyrazol-1-yl]phenol.

Molecular Properties

Compound Name2-[3-amino-4-(2-aminoethyl)pyrazol-1-yl]phenol
PubChem CID83888216
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name2-[3-amino-4-(2-aminoethyl)pyrazol-1-yl]phenol
SMILESNCCc1cn(-c2ccccc2O)nc1N
InChIInChI=1S/C11H14N4O/c12-6-5-8-7-15(14-11(8)13)9-3-1-2-4-10(9)16/h1-4,7,16H,5-6,12H2,(H2,13,14)
InChIKeyGMZPZGCYHGUYNU-UHFFFAOYSA-N
XLogP0.66
TPSA90.09 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[3-amino-4-(2-aminoethyl)pyrazol-1-yl]phenol 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 2-[3-amino-4-(2-aminoethyl)pyrazol-1-yl]phenol?
The IUPAC name of 2-[3-amino-4-(2-aminoethyl)pyrazol-1-yl]phenol (CID 83888216) is 2-[3-amino-4-(2-aminoethyl)pyrazol-1-yl]phenol.
What is the SMILES notation for 2-[3-amino-4-(2-aminoethyl)pyrazol-1-yl]phenol?
The canonical SMILES for 2-[3-amino-4-(2-aminoethyl)pyrazol-1-yl]phenol is NCCc1cn(-c2ccccc2O)nc1N.
What is the InChIKey of 2-[3-amino-4-(2-aminoethyl)pyrazol-1-yl]phenol?
The InChIKey is GMZPZGCYHGUYNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c12-6-5-8-7-15(14-11(8)13)9-3-1-2-4-10(9)16/h1-4,7,16H,5-6,12H2,(H2,13,14).
What are the key properties of 2-[3-amino-4-(2-aminoethyl)pyrazol-1-yl]phenol?
2-[3-amino-4-(2-aminoethyl)pyrazol-1-yl]phenol has a molecular weight of 218.26 g/mol, XLogP of 0.66, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-amino-4-(2-aminoethyl)pyrazol-1-yl]phenol is sourced from PubChem (CID 83888216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).