1-benzofuran-2-yl-(1,5-dimethylpyrazol-3-yl)methanamine

C14H15N3O — CID 114219353

IUPAC1-benzofuran-2-yl-(1,5-dimethylpyrazol-3-yl)methanamine
SMILESCc1cc(C(N)c2cc3ccccc3o2)nn1C
InChIInChI=1S/C14H15N3O/c1-9-7-11(16-17(9)2)14(15)13-8-10-5-3-4-6-12(10)18-13/h3-8,14H,15H2,1-2H3
InChIKeyABNJZVZJYWTFHQ-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.52
Rot. Bonds2

About 1-benzofuran-2-yl-(1,5-dimethylpyrazol-3-yl)methanamine

1-benzofuran-2-yl-(1,5-dimethylpyrazol-3-yl)methanamine (PubChem CID 114219353) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 1-benzofuran-2-yl-(1,5-dimethylpyrazol-3-yl)methanamine.

Molecular Properties

Compound Name1-benzofuran-2-yl-(1,5-dimethylpyrazol-3-yl)methanamine
PubChem CID114219353
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name1-benzofuran-2-yl-(1,5-dimethylpyrazol-3-yl)methanamine
SMILESCc1cc(C(N)c2cc3ccccc3o2)nn1C
InChIInChI=1S/C14H15N3O/c1-9-7-11(16-17(9)2)14(15)13-8-10-5-3-4-6-12(10)18-13/h3-8,14H,15H2,1-2H3
InChIKeyABNJZVZJYWTFHQ-UHFFFAOYSA-N
XLogP2.52
TPSA56.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzofuran-2-yl-(1-methylindazol-3-yl)methanamine
CID 103128236
1-benzofuran-2-yl-(5-methyl-1-benzofuran-2-yl)methanamine
CID 63326539
1-(1-benzofuran-2-yl)-1-(2,5-dimethylpyrazol-3-yl)-N-methylmethanamine
CID 105184868
1-benzofuran-2-yl-(2,4,5-trimethylphenyl)methanamine
CID 60727883
1-benzofuran-2-yl(thiadiazol-4-yl)methanamine
CID 105184762
1-(1-benzofuran-2-yl)-2-(4,5-dimethylimidazol-1-yl)ethanamine
CID 62352150
1-benzofuran-2-yl-(2,3-dimethylphenyl)methanamine
CID 63090603
1-benzofuran-2-yl-(1,3-diethylpyrazol-5-yl)methanamine
CID 105184781
(1R)-1-(1-benzofuran-2-yl)ethanamine;hydrochloride
CID 75525569
1-benzofuran-2-yl-(3-methylthiophen-2-yl)methanamine
CID 63991259
1-benzofuran-2-yl-(2-methoxy-3,4-dimethylphenyl)methanamine
CID 103433505
1-benzofuran-2-yl-(2-fluoro-4,6-dimethylphenyl)methanamine
CID 106881511

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-2-yl-(1,5-dimethylpyrazol-3-yl)methanamine?
The IUPAC name of 1-benzofuran-2-yl-(1,5-dimethylpyrazol-3-yl)methanamine (CID 114219353) is 1-benzofuran-2-yl-(1,5-dimethylpyrazol-3-yl)methanamine.
What is the SMILES notation for 1-benzofuran-2-yl-(1,5-dimethylpyrazol-3-yl)methanamine?
The canonical SMILES for 1-benzofuran-2-yl-(1,5-dimethylpyrazol-3-yl)methanamine is Cc1cc(C(N)c2cc3ccccc3o2)nn1C.
What is the InChIKey of 1-benzofuran-2-yl-(1,5-dimethylpyrazol-3-yl)methanamine?
The InChIKey is ABNJZVZJYWTFHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-9-7-11(16-17(9)2)14(15)13-8-10-5-3-4-6-12(10)18-13/h3-8,14H,15H2,1-2H3.
What are the key properties of 1-benzofuran-2-yl-(1,5-dimethylpyrazol-3-yl)methanamine?
1-benzofuran-2-yl-(1,5-dimethylpyrazol-3-yl)methanamine has a molecular weight of 241.29 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-2-yl-(1,5-dimethylpyrazol-3-yl)methanamine is sourced from PubChem (CID 114219353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).