5-(4-methoxy-1-benzofuran-2-yl)-1-methylpyrazol-4-amine

C13H13N3O2 — CID 115109758

IUPAC5-(4-methoxy-1-benzofuran-2-yl)-1-methylpyrazol-4-amine
SMILESCOc1cccc2oc(-c3c(N)cnn3C)cc12
InChIInChI=1S/C13H13N3O2/c1-16-13(9(14)7-15-16)12-6-8-10(17-2)4-3-5-11(8)18-12/h3-7H,14H2,1-2H3
InChIKeyVQEDIUZDRCWQRO-UHFFFAOYSA-N
MW243.27 g/mol
LogP2.42
Rot. Bonds2

About 5-(4-methoxy-1-benzofuran-2-yl)-1-methylpyrazol-4-amine

5-(4-methoxy-1-benzofuran-2-yl)-1-methylpyrazol-4-amine (PubChem CID 115109758) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 5-(4-methoxy-1-benzofuran-2-yl)-1-methylpyrazol-4-amine.

Molecular Properties

Compound Name5-(4-methoxy-1-benzofuran-2-yl)-1-methylpyrazol-4-amine
PubChem CID115109758
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Name5-(4-methoxy-1-benzofuran-2-yl)-1-methylpyrazol-4-amine
SMILESCOc1cccc2oc(-c3c(N)cnn3C)cc12
InChIInChI=1S/C13H13N3O2/c1-16-13(9(14)7-15-16)12-6-8-10(17-2)4-3-5-11(8)18-12/h3-7H,14H2,1-2H3
InChIKeyVQEDIUZDRCWQRO-UHFFFAOYSA-N
XLogP2.42
TPSA66.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxy-1-benzofuran-2-yl)-1-methylpyrazol-4-amine?
The IUPAC name of 5-(4-methoxy-1-benzofuran-2-yl)-1-methylpyrazol-4-amine (CID 115109758) is 5-(4-methoxy-1-benzofuran-2-yl)-1-methylpyrazol-4-amine.
What is the SMILES notation for 5-(4-methoxy-1-benzofuran-2-yl)-1-methylpyrazol-4-amine?
The canonical SMILES for 5-(4-methoxy-1-benzofuran-2-yl)-1-methylpyrazol-4-amine is COc1cccc2oc(-c3c(N)cnn3C)cc12.
What is the InChIKey of 5-(4-methoxy-1-benzofuran-2-yl)-1-methylpyrazol-4-amine?
The InChIKey is VQEDIUZDRCWQRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c1-16-13(9(14)7-15-16)12-6-8-10(17-2)4-3-5-11(8)18-12/h3-7H,14H2,1-2H3.
What are the key properties of 5-(4-methoxy-1-benzofuran-2-yl)-1-methylpyrazol-4-amine?
5-(4-methoxy-1-benzofuran-2-yl)-1-methylpyrazol-4-amine has a molecular weight of 243.27 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxy-1-benzofuran-2-yl)-1-methylpyrazol-4-amine is sourced from PubChem (CID 115109758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).