3-(2,5-dimethylfuran-3-yl)-1-methyl-4-(4-methylphenyl)pyrazol-5-amine

C17H19N3O — CID 62831180

IUPAC3-(2,5-dimethylfuran-3-yl)-1-methyl-4-(4-methylphenyl)pyrazol-5-amine
SMILESCc1ccc(-c2c(-c3cc(C)oc3C)nn(C)c2N)cc1
InChIInChI=1S/C17H19N3O/c1-10-5-7-13(8-6-10)15-16(19-20(4)17(15)18)14-9-11(2)21-12(14)3/h5-9H,18H2,1-4H3
InChIKeyOGUUEVZGKAGXNH-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.85
Rot. Bonds2

About 3-(2,5-dimethylfuran-3-yl)-1-methyl-4-(4-methylphenyl)pyrazol-5-amine

3-(2,5-dimethylfuran-3-yl)-1-methyl-4-(4-methylphenyl)pyrazol-5-amine (PubChem CID 62831180) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 3-(2,5-dimethylfuran-3-yl)-1-methyl-4-(4-methylphenyl)pyrazol-5-amine.

Molecular Properties

Compound Name3-(2,5-dimethylfuran-3-yl)-1-methyl-4-(4-methylphenyl)pyrazol-5-amine
PubChem CID62831180
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name3-(2,5-dimethylfuran-3-yl)-1-methyl-4-(4-methylphenyl)pyrazol-5-amine
SMILESCc1ccc(-c2c(-c3cc(C)oc3C)nn(C)c2N)cc1
InChIInChI=1S/C17H19N3O/c1-10-5-7-13(8-6-10)15-16(19-20(4)17(15)18)14-9-11(2)21-12(14)3/h5-9H,18H2,1-4H3
InChIKeyOGUUEVZGKAGXNH-UHFFFAOYSA-N
XLogP3.85
TPSA56.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethylfuran-3-yl)-1-methyl-4-(4-methylphenyl)pyrazol-5-amine?
The IUPAC name of 3-(2,5-dimethylfuran-3-yl)-1-methyl-4-(4-methylphenyl)pyrazol-5-amine (CID 62831180) is 3-(2,5-dimethylfuran-3-yl)-1-methyl-4-(4-methylphenyl)pyrazol-5-amine.
What is the SMILES notation for 3-(2,5-dimethylfuran-3-yl)-1-methyl-4-(4-methylphenyl)pyrazol-5-amine?
The canonical SMILES for 3-(2,5-dimethylfuran-3-yl)-1-methyl-4-(4-methylphenyl)pyrazol-5-amine is Cc1ccc(-c2c(-c3cc(C)oc3C)nn(C)c2N)cc1.
What is the InChIKey of 3-(2,5-dimethylfuran-3-yl)-1-methyl-4-(4-methylphenyl)pyrazol-5-amine?
The InChIKey is OGUUEVZGKAGXNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-10-5-7-13(8-6-10)15-16(19-20(4)17(15)18)14-9-11(2)21-12(14)3/h5-9H,18H2,1-4H3.
What are the key properties of 3-(2,5-dimethylfuran-3-yl)-1-methyl-4-(4-methylphenyl)pyrazol-5-amine?
3-(2,5-dimethylfuran-3-yl)-1-methyl-4-(4-methylphenyl)pyrazol-5-amine has a molecular weight of 281.36 g/mol, XLogP of 3.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethylfuran-3-yl)-1-methyl-4-(4-methylphenyl)pyrazol-5-amine is sourced from PubChem (CID 62831180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).