2-(1-amino-2-pyrazol-1-ylethyl)phenol

C11H13N3O — CID 16641636

IUPAC2-(1-amino-2-pyrazol-1-ylethyl)phenol
SMILESNC(Cn1cccn1)c1ccccc1O
InChIInChI=1S/C11H13N3O/c12-10(8-14-7-3-6-13-14)9-4-1-2-5-11(9)15/h1-7,10,15H,8,12H2
InChIKeyKOAXYXWJDXQNJX-UHFFFAOYSA-N
MW203.25 g/mol
LogP1.29
Rot. Bonds3

About 2-(1-amino-2-pyrazol-1-ylethyl)phenol

2-(1-amino-2-pyrazol-1-ylethyl)phenol (PubChem CID 16641636) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is 2-(1-amino-2-pyrazol-1-ylethyl)phenol.

Molecular Properties

Compound Name2-(1-amino-2-pyrazol-1-ylethyl)phenol
PubChem CID16641636
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name2-(1-amino-2-pyrazol-1-ylethyl)phenol
SMILESNC(Cn1cccn1)c1ccccc1O
InChIInChI=1S/C11H13N3O/c12-10(8-14-7-3-6-13-14)9-4-1-2-5-11(9)15/h1-7,10,15H,8,12H2
InChIKeyKOAXYXWJDXQNJX-UHFFFAOYSA-N
XLogP1.29
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

(1R)-1-phenyl-2-pyrazol-1-ylethanol
CID 712326
1-(2,6-difluorophenyl)-2-pyrazol-1-ylethanamine
CID 16781787
2-[1-amino-2-(azepan-1-yl)ethyl]phenol
CID 117243601
2-(1-amino-2-fluoroethyl)phenol
CID 83815442
1-(3,4-dimethylphenyl)-2-pyrazol-1-ylethanamine
CID 16643554
2-[(1S)-1,3-diaminopropyl]phenol
CID 130872287
2-pyrazol-1-yl-1-(2,4,6-trimethylphenyl)ethanamine
CID 16793617
1-[4-(aminomethyl)phenyl]-2-pyrazol-1-ylethanol
CID 43531433
1-(2-chlorophenyl)-2-(1-pyrazol-1-ylpropan-2-ylamino)ethanol
CID 61459886
2-(1-amino-3-hydroxypropyl)phenol;hydrochloride
CID 170874374
methyl 2-phenyl-3-pyrazol-1-ylpropanoate
CID 64567255
2-[2-[4-(aminomethyl)pyrazol-1-yl]-1-hydroxyethyl]phenol
CID 115039461

Frequently Asked Questions

What is the IUPAC name of 2-(1-amino-2-pyrazol-1-ylethyl)phenol?
The IUPAC name of 2-(1-amino-2-pyrazol-1-ylethyl)phenol (CID 16641636) is 2-(1-amino-2-pyrazol-1-ylethyl)phenol.
What is the SMILES notation for 2-(1-amino-2-pyrazol-1-ylethyl)phenol?
The canonical SMILES for 2-(1-amino-2-pyrazol-1-ylethyl)phenol is NC(Cn1cccn1)c1ccccc1O.
What is the InChIKey of 2-(1-amino-2-pyrazol-1-ylethyl)phenol?
The InChIKey is KOAXYXWJDXQNJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c12-10(8-14-7-3-6-13-14)9-4-1-2-5-11(9)15/h1-7,10,15H,8,12H2.
What are the key properties of 2-(1-amino-2-pyrazol-1-ylethyl)phenol?
2-(1-amino-2-pyrazol-1-ylethyl)phenol has a molecular weight of 203.25 g/mol, XLogP of 1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-amino-2-pyrazol-1-ylethyl)phenol is sourced from PubChem (CID 16641636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).