2-(1-benzofuran-2-ylmethyl)-5-methylpyrazol-3-amine

C13H13N3O — CID 63896599

IUPAC2-(1-benzofuran-2-ylmethyl)-5-methylpyrazol-3-amine
SMILESCc1cc(N)n(Cc2cc3ccccc3o2)n1
InChIInChI=1S/C13H13N3O/c1-9-6-13(14)16(15-9)8-11-7-10-4-2-3-5-12(10)17-11/h2-7H,8,14H2,1H3
InChIKeyQCEFRUAKVALKNN-UHFFFAOYSA-N
MW227.27 g/mol
LogP2.57
Rot. Bonds2

About 2-(1-benzofuran-2-ylmethyl)-5-methylpyrazol-3-amine

2-(1-benzofuran-2-ylmethyl)-5-methylpyrazol-3-amine (PubChem CID 63896599) has the molecular formula C13H13N3O and a molecular weight of 227.27 g/mol. Its IUPAC name is 2-(1-benzofuran-2-ylmethyl)-5-methylpyrazol-3-amine.

Molecular Properties

Compound Name2-(1-benzofuran-2-ylmethyl)-5-methylpyrazol-3-amine
PubChem CID63896599
Molecular FormulaC13H13N3O
Molecular Weight227.27 g/mol
Exact Mass227.11
IUPAC Name2-(1-benzofuran-2-ylmethyl)-5-methylpyrazol-3-amine
SMILESCc1cc(N)n(Cc2cc3ccccc3o2)n1
InChIInChI=1S/C13H13N3O/c1-9-6-13(14)16(15-9)8-11-7-10-4-2-3-5-12(10)17-11/h2-7H,8,14H2,1H3
InChIKeyQCEFRUAKVALKNN-UHFFFAOYSA-N
XLogP2.57
TPSA56.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-2-ylmethyl)-5-methylpyrazol-3-amine?
The IUPAC name of 2-(1-benzofuran-2-ylmethyl)-5-methylpyrazol-3-amine (CID 63896599) is 2-(1-benzofuran-2-ylmethyl)-5-methylpyrazol-3-amine.
What is the SMILES notation for 2-(1-benzofuran-2-ylmethyl)-5-methylpyrazol-3-amine?
The canonical SMILES for 2-(1-benzofuran-2-ylmethyl)-5-methylpyrazol-3-amine is Cc1cc(N)n(Cc2cc3ccccc3o2)n1.
What is the InChIKey of 2-(1-benzofuran-2-ylmethyl)-5-methylpyrazol-3-amine?
The InChIKey is QCEFRUAKVALKNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O/c1-9-6-13(14)16(15-9)8-11-7-10-4-2-3-5-12(10)17-11/h2-7H,8,14H2,1H3.
What are the key properties of 2-(1-benzofuran-2-ylmethyl)-5-methylpyrazol-3-amine?
2-(1-benzofuran-2-ylmethyl)-5-methylpyrazol-3-amine has a molecular weight of 227.27 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzofuran-2-ylmethyl)-5-methylpyrazol-3-amine is sourced from PubChem (CID 63896599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).