(2,5-dimethylfuran-3-yl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine

C12H17N3O2 — CID 105047134

IUPAC(2,5-dimethylfuran-3-yl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine
SMILESCOc1cnn(C)c1C(N)c1cc(C)oc1C
InChIInChI=1S/C12H17N3O2/c1-7-5-9(8(2)17-7)11(13)12-10(16-4)6-14-15(12)3/h5-6,11H,13H2,1-4H3
InChIKeyUXIXFOBJKIZLRQ-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.69
Rot. Bonds3

About (2,5-dimethylfuran-3-yl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine

(2,5-dimethylfuran-3-yl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine (PubChem CID 105047134) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is (2,5-dimethylfuran-3-yl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine.

Molecular Properties

Compound Name(2,5-dimethylfuran-3-yl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine
PubChem CID105047134
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name(2,5-dimethylfuran-3-yl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine
SMILESCOc1cnn(C)c1C(N)c1cc(C)oc1C
InChIInChI=1S/C12H17N3O2/c1-7-5-9(8(2)17-7)11(13)12-10(16-4)6-14-15(12)3/h5-6,11H,13H2,1-4H3
InChIKeyUXIXFOBJKIZLRQ-UHFFFAOYSA-N
XLogP1.69
TPSA66.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-chloro-1-methylpyrazol-5-yl)-(2,5-dimethylfuran-3-yl)methanamine
CID 105046611
(4-methoxy-1-methylpyrazol-5-yl)-(5-methyl-3-pyridinyl)methanamine
CID 105186353
(4-methoxy-3-methylphenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine
CID 114659334
(4-methoxy-1-methylpyrazol-5-yl)-(2-methylquinolin-4-yl)methanamine
CID 105186319
(4-methoxy-1-methylpyrazol-5-yl)-(2,3,4,5,6-pentafluorophenyl)methanamine
CID 105046927
(2,3-dichlorophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine
CID 105047303
(3-bromo-5-methylphenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine
CID 105047093
(4-methoxy-1-methylpyrazol-5-yl)-(4-propan-2-ylphenyl)methanamine
CID 114646467
N-[(2,5-dimethylfuran-3-yl)-(4-methoxy-1-propylpyrazol-5-yl)methyl]ethanamine
CID 105048857
2-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)-3-methylbutan-1-amine
CID 114661194
(4-methoxy-1-methylpyrazol-5-yl)-(3-methyl-2-pyridinyl)methanamine
CID 114648978
(3-bromo-4-chlorophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine
CID 114659728

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylfuran-3-yl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine?
The IUPAC name of (2,5-dimethylfuran-3-yl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine (CID 105047134) is (2,5-dimethylfuran-3-yl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine.
What is the SMILES notation for (2,5-dimethylfuran-3-yl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine?
The canonical SMILES for (2,5-dimethylfuran-3-yl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine is COc1cnn(C)c1C(N)c1cc(C)oc1C.
What is the InChIKey of (2,5-dimethylfuran-3-yl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine?
The InChIKey is UXIXFOBJKIZLRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-7-5-9(8(2)17-7)11(13)12-10(16-4)6-14-15(12)3/h5-6,11H,13H2,1-4H3.
What are the key properties of (2,5-dimethylfuran-3-yl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine?
(2,5-dimethylfuran-3-yl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine has a molecular weight of 235.29 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylfuran-3-yl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine is sourced from PubChem (CID 105047134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).