5-[2-(oxiran-2-yl)phenyl]-1H-pyrazol-3-amine

C11H11N3O — CID 88558873

IUPAC5-[2-(oxiran-2-yl)phenyl]-1H-pyrazol-3-amine
SMILESNc1cc(-c2ccccc2C2CO2)[nH]n1
InChIInChI=1S/C11H11N3O/c12-11-5-9(13-14-11)7-3-1-2-4-8(7)10-6-15-10/h1-5,10H,6H2,(H3,12,13,14)
InChIKeyDFQNGTOCUUKXDY-UHFFFAOYSA-N
MW201.23 g/mol
LogP1.73
Rot. Bonds2

About 5-[2-(oxiran-2-yl)phenyl]-1H-pyrazol-3-amine

5-[2-(oxiran-2-yl)phenyl]-1H-pyrazol-3-amine (PubChem CID 88558873) has the molecular formula C11H11N3O and a molecular weight of 201.23 g/mol. Its IUPAC name is 5-[2-(oxiran-2-yl)phenyl]-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-[2-(oxiran-2-yl)phenyl]-1H-pyrazol-3-amine
PubChem CID88558873
Molecular FormulaC11H11N3O
Molecular Weight201.23 g/mol
Exact Mass201.09
IUPAC Name5-[2-(oxiran-2-yl)phenyl]-1H-pyrazol-3-amine
SMILESNc1cc(-c2ccccc2C2CO2)[nH]n1
InChIInChI=1S/C11H11N3O/c12-11-5-9(13-14-11)7-3-1-2-4-8(7)10-6-15-10/h1-5,10H,6H2,(H3,12,13,14)
InChIKeyDFQNGTOCUUKXDY-UHFFFAOYSA-N
XLogP1.73
TPSA67.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

5-[2-(4,4-dimethylcyclohexyl)phenyl]-1H-pyrazol-3-amine
CID 117427035
5-[2-(oxetan-3-ylsulfonyl)phenyl]-1H-pyrazol-3-amine
CID 117447698
5-(2,3-dihydro-1-benzofuran-7-yl)-1H-pyrazol-3-amine
CID 117290116
5-[2-(triazol-2-yl)phenyl]-1H-pyrazol-3-amine
CID 117325181
4-[2-(3-amino-1H-pyrazol-5-yl)phenyl]-1,3-dihydroimidazol-2-one
CID 117354737
5-[2-(pyrrolidin-1-ylmethyl)phenyl]-1H-pyrazol-3-amine
CID 117358203
2-[2-(1,4-dioxan-2-yl)phenyl]-1H-pyrrole
CID 67816806
5-(3-chloro-2-methylphenyl)-1H-pyrazol-3-amine
CID 67188640
5-(3-chloro-2-fluorophenyl)-1H-pyrazol-3-amine
CID 81265191
5-(2-cyclopentyloxy-3-methoxyphenyl)-1H-pyrazol-3-amine
CID 117435982
2-[2-(3-amino-1H-pyrazol-5-yl)phenyl]-2-methylpropan-1-ol
CID 115111570
5-[2-(triazol-1-yl)phenyl]-1H-pyrazol-3-amine
CID 117325182

Frequently Asked Questions

What is the IUPAC name of 5-[2-(oxiran-2-yl)phenyl]-1H-pyrazol-3-amine?
The IUPAC name of 5-[2-(oxiran-2-yl)phenyl]-1H-pyrazol-3-amine (CID 88558873) is 5-[2-(oxiran-2-yl)phenyl]-1H-pyrazol-3-amine.
What is the SMILES notation for 5-[2-(oxiran-2-yl)phenyl]-1H-pyrazol-3-amine?
The canonical SMILES for 5-[2-(oxiran-2-yl)phenyl]-1H-pyrazol-3-amine is Nc1cc(-c2ccccc2C2CO2)[nH]n1.
What is the InChIKey of 5-[2-(oxiran-2-yl)phenyl]-1H-pyrazol-3-amine?
The InChIKey is DFQNGTOCUUKXDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O/c12-11-5-9(13-14-11)7-3-1-2-4-8(7)10-6-15-10/h1-5,10H,6H2,(H3,12,13,14).
What are the key properties of 5-[2-(oxiran-2-yl)phenyl]-1H-pyrazol-3-amine?
5-[2-(oxiran-2-yl)phenyl]-1H-pyrazol-3-amine has a molecular weight of 201.23 g/mol, XLogP of 1.73, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(oxiran-2-yl)phenyl]-1H-pyrazol-3-amine is sourced from PubChem (CID 88558873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).