2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-5-methylpyrazol-3-amine

C15H19N3O — CID 64509063

IUPAC2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-5-methylpyrazol-3-amine
SMILESCc1cc(N)n(Cc2cccc3c2OC(C)(C)C3)n1
InChIInChI=1S/C15H19N3O/c1-10-7-13(16)18(17-10)9-12-6-4-5-11-8-15(2,3)19-14(11)12/h4-7H,8-9,16H2,1-3H3
InChIKeyNWCURQKLBARSRD-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.54
Rot. Bonds2

About 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-5-methylpyrazol-3-amine

2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-5-methylpyrazol-3-amine (PubChem CID 64509063) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-5-methylpyrazol-3-amine.

Molecular Properties

Compound Name2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-5-methylpyrazol-3-amine
PubChem CID64509063
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-5-methylpyrazol-3-amine
SMILESCc1cc(N)n(Cc2cccc3c2OC(C)(C)C3)n1
InChIInChI=1S/C15H19N3O/c1-10-7-13(16)18(17-10)9-12-6-4-5-11-8-15(2,3)19-14(11)12/h4-7H,8-9,16H2,1-3H3
InChIKeyNWCURQKLBARSRD-UHFFFAOYSA-N
XLogP2.54
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-5-methylpyrazol-3-amine?
The IUPAC name of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-5-methylpyrazol-3-amine (CID 64509063) is 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-5-methylpyrazol-3-amine.
What is the SMILES notation for 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-5-methylpyrazol-3-amine?
The canonical SMILES for 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-5-methylpyrazol-3-amine is Cc1cc(N)n(Cc2cccc3c2OC(C)(C)C3)n1.
What is the InChIKey of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-5-methylpyrazol-3-amine?
The InChIKey is NWCURQKLBARSRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-10-7-13(16)18(17-10)9-12-6-4-5-11-8-15(2,3)19-14(11)12/h4-7H,8-9,16H2,1-3H3.
What are the key properties of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-5-methylpyrazol-3-amine?
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-5-methylpyrazol-3-amine has a molecular weight of 257.34 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-5-methylpyrazol-3-amine is sourced from PubChem (CID 64509063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).