1-(3,5-dimethylphenyl)-3-(furan-2-yl)pyrazol-5-amine

C15H15N3O — CID 16770114

IUPAC1-(3,5-dimethylphenyl)-3-(furan-2-yl)pyrazol-5-amine
SMILESCc1cc(C)cc(-n2nc(-c3ccco3)cc2N)c1
InChIInChI=1S/C15H15N3O/c1-10-6-11(2)8-12(7-10)18-15(16)9-13(17-18)14-4-3-5-19-14/h3-9H,16H2,1-2H3
InChIKeyGLQOGYVNMZAJBT-UHFFFAOYSA-N
MW253.30 g/mol
LogP3.33
Rot. Bonds2

About 1-(3,5-dimethylphenyl)-3-(furan-2-yl)pyrazol-5-amine

1-(3,5-dimethylphenyl)-3-(furan-2-yl)pyrazol-5-amine (PubChem CID 16770114) has the molecular formula C15H15N3O and a molecular weight of 253.30 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-3-(furan-2-yl)pyrazol-5-amine.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-3-(furan-2-yl)pyrazol-5-amine
PubChem CID16770114
Molecular FormulaC15H15N3O
Molecular Weight253.30 g/mol
Exact Mass253.12
IUPAC Name1-(3,5-dimethylphenyl)-3-(furan-2-yl)pyrazol-5-amine
SMILESCc1cc(C)cc(-n2nc(-c3ccco3)cc2N)c1
InChIInChI=1S/C15H15N3O/c1-10-6-11(2)8-12(7-10)18-15(16)9-13(17-18)14-4-3-5-19-14/h3-9H,16H2,1-2H3
InChIKeyGLQOGYVNMZAJBT-UHFFFAOYSA-N
XLogP3.33
TPSA56.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-3-(furan-2-yl)pyrazol-5-amine?
The IUPAC name of 1-(3,5-dimethylphenyl)-3-(furan-2-yl)pyrazol-5-amine (CID 16770114) is 1-(3,5-dimethylphenyl)-3-(furan-2-yl)pyrazol-5-amine.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-3-(furan-2-yl)pyrazol-5-amine?
The canonical SMILES for 1-(3,5-dimethylphenyl)-3-(furan-2-yl)pyrazol-5-amine is Cc1cc(C)cc(-n2nc(-c3ccco3)cc2N)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-3-(furan-2-yl)pyrazol-5-amine?
The InChIKey is GLQOGYVNMZAJBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-10-6-11(2)8-12(7-10)18-15(16)9-13(17-18)14-4-3-5-19-14/h3-9H,16H2,1-2H3.
What are the key properties of 1-(3,5-dimethylphenyl)-3-(furan-2-yl)pyrazol-5-amine?
1-(3,5-dimethylphenyl)-3-(furan-2-yl)pyrazol-5-amine has a molecular weight of 253.30 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-3-(furan-2-yl)pyrazol-5-amine is sourced from PubChem (CID 16770114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).