1-(1,3-dimethylpyrazol-4-yl)-2-(furan-3-yl)-N-methylethanamine

C12H17N3O — CID 102804370

IUPAC1-(1,3-dimethylpyrazol-4-yl)-2-(furan-3-yl)-N-methylethanamine
SMILESCNC(Cc1ccoc1)c1cn(C)nc1C
InChIInChI=1S/C12H17N3O/c1-9-11(7-15(3)14-9)12(13-2)6-10-4-5-16-8-10/h4-5,7-8,12-13H,6H2,1-3H3
InChIKeyBRYVORISQRNVQY-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.82
Rot. Bonds4

About 1-(1,3-dimethylpyrazol-4-yl)-2-(furan-3-yl)-N-methylethanamine

1-(1,3-dimethylpyrazol-4-yl)-2-(furan-3-yl)-N-methylethanamine (PubChem CID 102804370) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 1-(1,3-dimethylpyrazol-4-yl)-2-(furan-3-yl)-N-methylethanamine.

Molecular Properties

Compound Name1-(1,3-dimethylpyrazol-4-yl)-2-(furan-3-yl)-N-methylethanamine
PubChem CID102804370
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name1-(1,3-dimethylpyrazol-4-yl)-2-(furan-3-yl)-N-methylethanamine
SMILESCNC(Cc1ccoc1)c1cn(C)nc1C
InChIInChI=1S/C12H17N3O/c1-9-11(7-15(3)14-9)12(13-2)6-10-4-5-16-8-10/h4-5,7-8,12-13H,6H2,1-3H3
InChIKeyBRYVORISQRNVQY-UHFFFAOYSA-N
XLogP1.82
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,3-dimethylpyrazol-4-yl)-N-methyl-2-pyridin-2-ylethanamine
CID 102803941
1-(1,3-dimethylpyrazol-4-yl)-2-(5-ethyl-2-pyridinyl)-N-methylethanamine
CID 102804167
2-(1,3-benzothiazol-2-yl)-1-(1,3-dimethylpyrazol-4-yl)-N-methylethanamine
CID 102804188
2-(furan-3-yl)-N-methyl-1-(4-methyl-2-pyridinyl)ethanamine
CID 83175534
2-(4-bromo-2-chlorophenyl)-1-(1,3-dimethylpyrazol-4-yl)-N-methylethanamine
CID 102804459
2-(furan-3-yl)-N-methyl-1-quinolin-8-ylethanamine
CID 105177547
1-(2,5-dibromothiophen-3-yl)-2-(furan-3-yl)-N-methylethanamine
CID 107968943
1-(4-fluorophenyl)-2-(furan-3-yl)-N-methylethanamine
CID 83176188
N-[1-(1,3-dimethylpyrazol-4-yl)-2-(4-ethylphenyl)ethyl]propan-1-amine
CID 102803059
1-(2,6-difluorophenyl)-2-(furan-3-yl)-N-methylethanamine
CID 83183458
1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-2-(furan-3-yl)ethanamine
CID 105177590
2-(furan-3-yl)-N-methyl-1-(thiadiazol-4-yl)ethanamine
CID 105177550

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)-2-(furan-3-yl)-N-methylethanamine?
The IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)-2-(furan-3-yl)-N-methylethanamine (CID 102804370) is 1-(1,3-dimethylpyrazol-4-yl)-2-(furan-3-yl)-N-methylethanamine.
What is the SMILES notation for 1-(1,3-dimethylpyrazol-4-yl)-2-(furan-3-yl)-N-methylethanamine?
The canonical SMILES for 1-(1,3-dimethylpyrazol-4-yl)-2-(furan-3-yl)-N-methylethanamine is CNC(Cc1ccoc1)c1cn(C)nc1C.
What is the InChIKey of 1-(1,3-dimethylpyrazol-4-yl)-2-(furan-3-yl)-N-methylethanamine?
The InChIKey is BRYVORISQRNVQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-9-11(7-15(3)14-9)12(13-2)6-10-4-5-16-8-10/h4-5,7-8,12-13H,6H2,1-3H3.
What are the key properties of 1-(1,3-dimethylpyrazol-4-yl)-2-(furan-3-yl)-N-methylethanamine?
1-(1,3-dimethylpyrazol-4-yl)-2-(furan-3-yl)-N-methylethanamine has a molecular weight of 219.29 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethylpyrazol-4-yl)-2-(furan-3-yl)-N-methylethanamine is sourced from PubChem (CID 102804370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).