1-(2,5-dimethylphenyl)-3-(furan-3-yl)pyrazol-4-amine

C15H15N3O — CID 83217234

IUPAC1-(2,5-dimethylphenyl)-3-(furan-3-yl)pyrazol-4-amine
SMILESCc1ccc(C)c(-n2cc(N)c(-c3ccoc3)n2)c1
InChIInChI=1S/C15H15N3O/c1-10-3-4-11(2)14(7-10)18-8-13(16)15(17-18)12-5-6-19-9-12/h3-9H,16H2,1-2H3
InChIKeyFAOTUHFVBZQHIV-UHFFFAOYSA-N
MW253.31 g/mol
LogP3.33
Rot. Bonds2

About 1-(2,5-dimethylphenyl)-3-(furan-3-yl)pyrazol-4-amine

1-(2,5-dimethylphenyl)-3-(furan-3-yl)pyrazol-4-amine (PubChem CID 83217234) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-3-(furan-3-yl)pyrazol-4-amine.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-3-(furan-3-yl)pyrazol-4-amine
PubChem CID83217234
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name1-(2,5-dimethylphenyl)-3-(furan-3-yl)pyrazol-4-amine
SMILESCc1ccc(C)c(-n2cc(N)c(-c3ccoc3)n2)c1
InChIInChI=1S/C15H15N3O/c1-10-3-4-11(2)14(7-10)18-8-13(16)15(17-18)12-5-6-19-9-12/h3-9H,16H2,1-2H3
InChIKeyFAOTUHFVBZQHIV-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 ≤ 500253.31
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-(2,5-dimethylphenyl)-3-(furan-3-yl)pyrazol-4-amine?
The IUPAC name of 1-(2,5-dimethylphenyl)-3-(furan-3-yl)pyrazol-4-amine (CID 83217234) is 1-(2,5-dimethylphenyl)-3-(furan-3-yl)pyrazol-4-amine.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-3-(furan-3-yl)pyrazol-4-amine?
The canonical SMILES for 1-(2,5-dimethylphenyl)-3-(furan-3-yl)pyrazol-4-amine is Cc1ccc(C)c(-n2cc(N)c(-c3ccoc3)n2)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-3-(furan-3-yl)pyrazol-4-amine?
The InChIKey is FAOTUHFVBZQHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-10-3-4-11(2)14(7-10)18-8-13(16)15(17-18)12-5-6-19-9-12/h3-9H,16H2,1-2H3.
What are the key properties of 1-(2,5-dimethylphenyl)-3-(furan-3-yl)pyrazol-4-amine?
1-(2,5-dimethylphenyl)-3-(furan-3-yl)pyrazol-4-amine has a molecular weight of 253.31 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-(2,5-dimethylphenyl)-3-(furan-3-yl)pyrazol-4-amine is sourced from PubChem (CID 83217234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).