(1-ethyl-4-methoxypyrazol-5-yl)-(5-methyl-1-benzofuran-2-yl)methanamine

C16H19N3O2 — CID 105186639

IUPAC(1-ethyl-4-methoxypyrazol-5-yl)-(5-methyl-1-benzofuran-2-yl)methanamine
SMILESCCn1ncc(OC)c1C(N)c1cc2cc(C)ccc2o1
InChIInChI=1S/C16H19N3O2/c1-4-19-16(14(20-3)9-18-19)15(17)13-8-11-7-10(2)5-6-12(11)21-13/h5-9,15H,4,17H2,1-3H3
InChIKeySBSCSOBRFCIMFP-UHFFFAOYSA-N
MW285.35 g/mol
LogP3.01
Rot. Bonds4

About (1-ethyl-4-methoxypyrazol-5-yl)-(5-methyl-1-benzofuran-2-yl)methanamine

(1-ethyl-4-methoxypyrazol-5-yl)-(5-methyl-1-benzofuran-2-yl)methanamine (PubChem CID 105186639) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is (1-ethyl-4-methoxypyrazol-5-yl)-(5-methyl-1-benzofuran-2-yl)methanamine.

Molecular Properties

Compound Name(1-ethyl-4-methoxypyrazol-5-yl)-(5-methyl-1-benzofuran-2-yl)methanamine
PubChem CID105186639
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name(1-ethyl-4-methoxypyrazol-5-yl)-(5-methyl-1-benzofuran-2-yl)methanamine
SMILESCCn1ncc(OC)c1C(N)c1cc2cc(C)ccc2o1
InChIInChI=1S/C16H19N3O2/c1-4-19-16(14(20-3)9-18-19)15(17)13-8-11-7-10(2)5-6-12(11)21-13/h5-9,15H,4,17H2,1-3H3
InChIKeySBSCSOBRFCIMFP-UHFFFAOYSA-N
XLogP3.01
TPSA66.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2-methoxy-5-methylphenyl)-(5-methyl-1-benzofuran-2-yl)methanamine
CID 63326884
(1-ethyl-4-methoxypyrazol-5-yl)-(3-fluoro-5-methylphenyl)methanamine
CID 114659168
(2,4-dimethoxyphenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanamine
CID 105047931
(3,4-difluorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanamine
CID 114646610
(1-ethyl-4-methoxypyrazol-5-yl)-isoquinolin-1-ylmethanamine
CID 114651952
(3,5-dimethylphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine
CID 105048688
(2,6-dichlorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanamine
CID 105047710
(1-ethyl-4-methoxypyrazol-5-yl)-(5-methylpyrazin-2-yl)methanamine
CID 105186704
(2,6-difluorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanamine
CID 114657653
N-[(1-ethyl-4-methoxypyrazol-5-yl)-(4-methylphenyl)methyl]propan-1-amine
CID 114646984
[2-(3,5-dimethylphenyl)-1-(1-ethyl-4-methoxypyrazol-5-yl)ethyl]hydrazine
CID 105212623
(1-ethyl-4-methoxypyrazol-5-yl)-(4-methylthiophen-3-yl)methanamine
CID 114658384

Frequently Asked Questions

What is the IUPAC name of (1-ethyl-4-methoxypyrazol-5-yl)-(5-methyl-1-benzofuran-2-yl)methanamine?
The IUPAC name of (1-ethyl-4-methoxypyrazol-5-yl)-(5-methyl-1-benzofuran-2-yl)methanamine (CID 105186639) is (1-ethyl-4-methoxypyrazol-5-yl)-(5-methyl-1-benzofuran-2-yl)methanamine.
What is the SMILES notation for (1-ethyl-4-methoxypyrazol-5-yl)-(5-methyl-1-benzofuran-2-yl)methanamine?
The canonical SMILES for (1-ethyl-4-methoxypyrazol-5-yl)-(5-methyl-1-benzofuran-2-yl)methanamine is CCn1ncc(OC)c1C(N)c1cc2cc(C)ccc2o1.
What is the InChIKey of (1-ethyl-4-methoxypyrazol-5-yl)-(5-methyl-1-benzofuran-2-yl)methanamine?
The InChIKey is SBSCSOBRFCIMFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-4-19-16(14(20-3)9-18-19)15(17)13-8-11-7-10(2)5-6-12(11)21-13/h5-9,15H,4,17H2,1-3H3.
What are the key properties of (1-ethyl-4-methoxypyrazol-5-yl)-(5-methyl-1-benzofuran-2-yl)methanamine?
(1-ethyl-4-methoxypyrazol-5-yl)-(5-methyl-1-benzofuran-2-yl)methanamine has a molecular weight of 285.35 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethyl-4-methoxypyrazol-5-yl)-(5-methyl-1-benzofuran-2-yl)methanamine is sourced from PubChem (CID 105186639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).