N-(2,2-dimethyl-3H-1-benzofuran-3-yl)-3,5-dimethyl-1H-pyrazol-4-amine

C15H19N3O — CID 106700878

IUPACN-(2,2-dimethyl-3H-1-benzofuran-3-yl)-3,5-dimethyl-1H-pyrazol-4-amine
SMILESCc1n[nH]c(C)c1NC1c2ccccc2OC1(C)C
InChIInChI=1S/C15H19N3O/c1-9-13(10(2)18-17-9)16-14-11-7-5-6-8-12(11)19-15(14,3)4/h5-8,14,16H,1-4H3,(H,17,18)
InChIKeyQEMXCADKLLHTTJ-UHFFFAOYSA-N
MW257.34 g/mol
LogP3.35
Rot. Bonds2

About N-(2,2-dimethyl-3H-1-benzofuran-3-yl)-3,5-dimethyl-1H-pyrazol-4-amine

N-(2,2-dimethyl-3H-1-benzofuran-3-yl)-3,5-dimethyl-1H-pyrazol-4-amine (PubChem CID 106700878) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N-(2,2-dimethyl-3H-1-benzofuran-3-yl)-3,5-dimethyl-1H-pyrazol-4-amine.

Molecular Properties

Compound NameN-(2,2-dimethyl-3H-1-benzofuran-3-yl)-3,5-dimethyl-1H-pyrazol-4-amine
PubChem CID106700878
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN-(2,2-dimethyl-3H-1-benzofuran-3-yl)-3,5-dimethyl-1H-pyrazol-4-amine
SMILESCc1n[nH]c(C)c1NC1c2ccccc2OC1(C)C
InChIInChI=1S/C15H19N3O/c1-9-13(10(2)18-17-9)16-14-11-7-5-6-8-12(11)19-15(14,3)4/h5-8,14,16H,1-4H3,(H,17,18)
InChIKeyQEMXCADKLLHTTJ-UHFFFAOYSA-N
XLogP3.35
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyl-3H-1-benzofuran-3-yl)-3,5-dimethyl-1H-pyrazol-4-amine?
The IUPAC name of N-(2,2-dimethyl-3H-1-benzofuran-3-yl)-3,5-dimethyl-1H-pyrazol-4-amine (CID 106700878) is N-(2,2-dimethyl-3H-1-benzofuran-3-yl)-3,5-dimethyl-1H-pyrazol-4-amine.
What is the SMILES notation for N-(2,2-dimethyl-3H-1-benzofuran-3-yl)-3,5-dimethyl-1H-pyrazol-4-amine?
The canonical SMILES for N-(2,2-dimethyl-3H-1-benzofuran-3-yl)-3,5-dimethyl-1H-pyrazol-4-amine is Cc1n[nH]c(C)c1NC1c2ccccc2OC1(C)C.
What is the InChIKey of N-(2,2-dimethyl-3H-1-benzofuran-3-yl)-3,5-dimethyl-1H-pyrazol-4-amine?
The InChIKey is QEMXCADKLLHTTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-9-13(10(2)18-17-9)16-14-11-7-5-6-8-12(11)19-15(14,3)4/h5-8,14,16H,1-4H3,(H,17,18).
What are the key properties of N-(2,2-dimethyl-3H-1-benzofuran-3-yl)-3,5-dimethyl-1H-pyrazol-4-amine?
N-(2,2-dimethyl-3H-1-benzofuran-3-yl)-3,5-dimethyl-1H-pyrazol-4-amine has a molecular weight of 257.34 g/mol, XLogP of 3.35, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyl-3H-1-benzofuran-3-yl)-3,5-dimethyl-1H-pyrazol-4-amine is sourced from PubChem (CID 106700878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).