[3-(3-ethyl-1-benzofuran-2-yl)-1-methylpyrazol-4-yl]methanamine

C15H17N3O — CID 79484527

IUPAC[3-(3-ethyl-1-benzofuran-2-yl)-1-methylpyrazol-4-yl]methanamine
SMILESCCc1c(-c2nn(C)cc2CN)oc2ccccc12
InChIInChI=1S/C15H17N3O/c1-3-11-12-6-4-5-7-13(12)19-15(11)14-10(8-16)9-18(2)17-14/h4-7,9H,3,8,16H2,1-2H3
InChIKeyQGKGMOWGEIBHST-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.85
Rot. Bonds3

About [3-(3-ethyl-1-benzofuran-2-yl)-1-methylpyrazol-4-yl]methanamine

[3-(3-ethyl-1-benzofuran-2-yl)-1-methylpyrazol-4-yl]methanamine (PubChem CID 79484527) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is [3-(3-ethyl-1-benzofuran-2-yl)-1-methylpyrazol-4-yl]methanamine.

Molecular Properties

Compound Name[3-(3-ethyl-1-benzofuran-2-yl)-1-methylpyrazol-4-yl]methanamine
PubChem CID79484527
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name[3-(3-ethyl-1-benzofuran-2-yl)-1-methylpyrazol-4-yl]methanamine
SMILESCCc1c(-c2nn(C)cc2CN)oc2ccccc12
InChIInChI=1S/C15H17N3O/c1-3-11-12-6-4-5-7-13(12)19-15(11)14-10(8-16)9-18(2)17-14/h4-7,9H,3,8,16H2,1-2H3
InChIKeyQGKGMOWGEIBHST-UHFFFAOYSA-N
XLogP2.85
TPSA56.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-ethyl-1-benzofuran-2-yl)-1-methylpyrazole-4-carbaldehyde
CID 43141289
[3-(2,6-difluorophenyl)-1-methylpyrazol-4-yl]methanamine
CID 79485433
[3-(2-methoxyphenyl)-1-methylpyrazol-4-yl]methanamine
CID 39095734
[1-methyl-3-(5-methylthiophen-2-yl)pyrazol-4-yl]methanamine
CID 79485670
3-(3-ethyl-1-benzofuran-2-yl)-4H-1,2-oxazol-5-one
CID 114763761
N-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-(1-methylpyrazol-3-yl)methanamine
CID 82882297
[3-(2,5-dimethylphenyl)-1-methylpyrazol-4-yl]methanamine
CID 79485518
6-(3-ethyl-1-benzofuran-2-yl)-3-methylimidazo[2,1-b][1,3]thiazole
CID 115403398
3,4-diethylchromen-2-one
CID 11680028
3-(2-chlorophenyl)-4-ethyl-1-methylpyrazole
CID 123288377
[2-(3-ethyl-1-methylpyrazol-4-yl)phenyl]methanamine
CID 66008084
4-(3-ethyl-1-benzofuran-2-yl)-N-methyl-1,3-thiazol-2-amine
CID 62942165

Frequently Asked Questions

What is the IUPAC name of [3-(3-ethyl-1-benzofuran-2-yl)-1-methylpyrazol-4-yl]methanamine?
The IUPAC name of [3-(3-ethyl-1-benzofuran-2-yl)-1-methylpyrazol-4-yl]methanamine (CID 79484527) is [3-(3-ethyl-1-benzofuran-2-yl)-1-methylpyrazol-4-yl]methanamine.
What is the SMILES notation for [3-(3-ethyl-1-benzofuran-2-yl)-1-methylpyrazol-4-yl]methanamine?
The canonical SMILES for [3-(3-ethyl-1-benzofuran-2-yl)-1-methylpyrazol-4-yl]methanamine is CCc1c(-c2nn(C)cc2CN)oc2ccccc12.
What is the InChIKey of [3-(3-ethyl-1-benzofuran-2-yl)-1-methylpyrazol-4-yl]methanamine?
The InChIKey is QGKGMOWGEIBHST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-3-11-12-6-4-5-7-13(12)19-15(11)14-10(8-16)9-18(2)17-14/h4-7,9H,3,8,16H2,1-2H3.
What are the key properties of [3-(3-ethyl-1-benzofuran-2-yl)-1-methylpyrazol-4-yl]methanamine?
[3-(3-ethyl-1-benzofuran-2-yl)-1-methylpyrazol-4-yl]methanamine has a molecular weight of 255.32 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-ethyl-1-benzofuran-2-yl)-1-methylpyrazol-4-yl]methanamine is sourced from PubChem (CID 79484527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).