4-(3-methoxyphenyl)-1-methyl-3-(2-methylfuran-3-yl)pyrazol-5-amine

C16H17N3O2 — CID 61262748

IUPAC4-(3-methoxyphenyl)-1-methyl-3-(2-methylfuran-3-yl)pyrazol-5-amine
SMILESCOc1cccc(-c2c(-c3ccoc3C)nn(C)c2N)c1
InChIInChI=1S/C16H17N3O2/c1-10-13(7-8-21-10)15-14(16(17)19(2)18-15)11-5-4-6-12(9-11)20-3/h4-9H,17H2,1-3H3
InChIKeyYJSYAIJSOMNJDB-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.25
Rot. Bonds3

About 4-(3-methoxyphenyl)-1-methyl-3-(2-methylfuran-3-yl)pyrazol-5-amine

4-(3-methoxyphenyl)-1-methyl-3-(2-methylfuran-3-yl)pyrazol-5-amine (PubChem CID 61262748) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 4-(3-methoxyphenyl)-1-methyl-3-(2-methylfuran-3-yl)pyrazol-5-amine.

Molecular Properties

Compound Name4-(3-methoxyphenyl)-1-methyl-3-(2-methylfuran-3-yl)pyrazol-5-amine
PubChem CID61262748
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name4-(3-methoxyphenyl)-1-methyl-3-(2-methylfuran-3-yl)pyrazol-5-amine
SMILESCOc1cccc(-c2c(-c3ccoc3C)nn(C)c2N)c1
InChIInChI=1S/C16H17N3O2/c1-10-13(7-8-21-10)15-14(16(17)19(2)18-15)11-5-4-6-12(9-11)20-3/h4-9H,17H2,1-3H3
InChIKeyYJSYAIJSOMNJDB-UHFFFAOYSA-N
XLogP3.25
TPSA66.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrazole_amino_A(1)', 'substructure': 'N/A'}

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Related Compounds

3-(2-chlorofuran-3-yl)-4-(3-fluorophenyl)-1-methylpyrazol-5-amine
CID 106687548
3-(2-chlorofuran-3-yl)-1-methyl-4-(4-methylphenyl)pyrazol-5-amine
CID 106687607
3-cyclobutyl-4-(3-methoxyphenyl)-1-methylpyrazol-5-amine
CID 61263855
4-(3-methoxyphenyl)-1-methyl-3-(oxan-4-yl)pyrazol-5-amine
CID 62906563
3-(furan-2-yl)-1-methyl-4-(4-methylphenyl)pyrazol-5-amine
CID 62830832
4-(3-chlorophenyl)-3-(4-methoxythiophen-2-yl)-1-methylpyrazol-5-amine
CID 81122516
3-(2-bromofuran-3-yl)-4-(3,5-difluorophenyl)-1-methylpyrazol-5-amine
CID 106854564
3-(2,3-dimethylphenyl)-1-methyl-4-phenylpyrazol-5-amine
CID 43336371
3-(2-methylfuran-3-yl)-4-(3-methylphenyl)-1,2-oxazol-5-amine
CID 62828557
3-(2,5-dimethylfuran-3-yl)-1-methyl-4-(4-methylphenyl)pyrazol-5-amine
CID 62831180
4-(3-methoxy-4-methylphenyl)-3-(2-methylfuran-3-yl)-1,2-oxazol-5-amine
CID 43336125
4-(3-methoxyphenyl)-3-(1-methylpyrazol-3-yl)-1,2-oxazol-5-amine
CID 103119565

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyphenyl)-1-methyl-3-(2-methylfuran-3-yl)pyrazol-5-amine?
The IUPAC name of 4-(3-methoxyphenyl)-1-methyl-3-(2-methylfuran-3-yl)pyrazol-5-amine (CID 61262748) is 4-(3-methoxyphenyl)-1-methyl-3-(2-methylfuran-3-yl)pyrazol-5-amine.
What is the SMILES notation for 4-(3-methoxyphenyl)-1-methyl-3-(2-methylfuran-3-yl)pyrazol-5-amine?
The canonical SMILES for 4-(3-methoxyphenyl)-1-methyl-3-(2-methylfuran-3-yl)pyrazol-5-amine is COc1cccc(-c2c(-c3ccoc3C)nn(C)c2N)c1.
What is the InChIKey of 4-(3-methoxyphenyl)-1-methyl-3-(2-methylfuran-3-yl)pyrazol-5-amine?
The InChIKey is YJSYAIJSOMNJDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-10-13(7-8-21-10)15-14(16(17)19(2)18-15)11-5-4-6-12(9-11)20-3/h4-9H,17H2,1-3H3.
What are the key properties of 4-(3-methoxyphenyl)-1-methyl-3-(2-methylfuran-3-yl)pyrazol-5-amine?
4-(3-methoxyphenyl)-1-methyl-3-(2-methylfuran-3-yl)pyrazol-5-amine has a molecular weight of 283.33 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyphenyl)-1-methyl-3-(2-methylfuran-3-yl)pyrazol-5-amine is sourced from PubChem (CID 61262748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).