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

C15H19N3O — CID 55168343

IUPACN-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-1-methylpyrazol-3-amine
SMILESCn1ccc(NCc2ccc3c(c2)CC(C)(C)O3)n1
InChIInChI=1S/C15H19N3O/c1-15(2)9-12-8-11(4-5-13(12)19-15)10-16-14-6-7-18(3)17-14/h4-8H,9-10H2,1-3H3,(H,16,17)
InChIKeyQDADPJOMNHAQER-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.75
Rot. Bonds3

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

N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-1-methylpyrazol-3-amine (PubChem CID 55168343) 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-5-yl)methyl]-1-methylpyrazol-3-amine.

Molecular Properties

Compound NameN-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-1-methylpyrazol-3-amine
PubChem CID55168343
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-1-methylpyrazol-3-amine
SMILESCn1ccc(NCc2ccc3c(c2)CC(C)(C)O3)n1
InChIInChI=1S/C15H19N3O/c1-15(2)9-12-8-11(4-5-13(12)19-15)10-16-14-6-7-18(3)17-14/h4-8H,9-10H2,1-3H3,(H,16,17)
InChIKeyQDADPJOMNHAQER-UHFFFAOYSA-N
XLogP2.75
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2-methylpropan-2-amine
CID 63270797
N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]hydroxylamine
CID 82684913
N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2-methylbutan-2-amine
CID 55168156
N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2-fluoroaniline
CID 63270710
N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-1-propan-2-ylpyrazol-4-amine
CID 63271073
N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]propan-1-amine
CID 63270798
N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-3,3-dimethylbutan-1-amine
CID 115614218
N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2-methylbut-3-yn-2-amine
CID 63999911
5-chloro-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2-fluoroaniline
CID 63423470
2,5-dibromo-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]aniline
CID 63446452
2-chloro-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]pyridin-3-amine
CID 63271337
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-1-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanamine
CID 119122037

Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-1-methylpyrazol-3-amine?
The IUPAC name of N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-1-methylpyrazol-3-amine (CID 55168343) is N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-1-methylpyrazol-3-amine.
What is the SMILES notation for N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-1-methylpyrazol-3-amine?
The canonical SMILES for N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-1-methylpyrazol-3-amine is Cn1ccc(NCc2ccc3c(c2)CC(C)(C)O3)n1.
What is the InChIKey of N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-1-methylpyrazol-3-amine?
The InChIKey is QDADPJOMNHAQER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-15(2)9-12-8-11(4-5-13(12)19-15)10-16-14-6-7-18(3)17-14/h4-8H,9-10H2,1-3H3,(H,16,17).
What are the key properties of N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-1-methylpyrazol-3-amine?
N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-1-methylpyrazol-3-amine has a molecular weight of 257.34 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-1-methylpyrazol-3-amine is sourced from PubChem (CID 55168343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).