N-methyl-1-(5-methylfuran-3-yl)-2-(1-methylpyrazol-3-yl)ethanamine

C12H17N3O — CID 105025275

IUPACN-methyl-1-(5-methylfuran-3-yl)-2-(1-methylpyrazol-3-yl)ethanamine
SMILESCNC(Cc1ccn(C)n1)c1coc(C)c1
InChIInChI=1S/C12H17N3O/c1-9-6-10(8-16-9)12(13-2)7-11-4-5-15(3)14-11/h4-6,8,12-13H,7H2,1-3H3
InChIKeyKIMODKDRIYSOKF-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.82
Rot. Bonds4

About N-methyl-1-(5-methylfuran-3-yl)-2-(1-methylpyrazol-3-yl)ethanamine

N-methyl-1-(5-methylfuran-3-yl)-2-(1-methylpyrazol-3-yl)ethanamine (PubChem CID 105025275) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is N-methyl-1-(5-methylfuran-3-yl)-2-(1-methylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-1-(5-methylfuran-3-yl)-2-(1-methylpyrazol-3-yl)ethanamine
PubChem CID105025275
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC NameN-methyl-1-(5-methylfuran-3-yl)-2-(1-methylpyrazol-3-yl)ethanamine
SMILESCNC(Cc1ccn(C)n1)c1coc(C)c1
InChIInChI=1S/C12H17N3O/c1-9-6-10(8-16-9)12(13-2)7-11-4-5-15(3)14-11/h4-6,8,12-13H,7H2,1-3H3
InChIKeyKIMODKDRIYSOKF-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-(4-bromophenyl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 82876754
N-methyl-1-(5-methylfuran-3-yl)-2-(1-methylimidazol-2-yl)ethanamine
CID 105011259
1-(3-bromo-5-fluorophenyl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 82877389
1-(4,5-dimethylthiophen-2-yl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 105025411
N-methyl-1-(5-methylfuran-3-yl)-2-(4-methylphenyl)ethanamine
CID 114821279
N-methyl-2-(1-methylpyrazol-3-yl)-1-(6-methyl-2-pyridinyl)ethanamine
CID 82877517
1-(1-benzofuran-2-yl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 82876336
(5-methylfuran-3-yl)-(1-methylpyrazol-3-yl)methanamine
CID 103134923
N-methyl-1-(1-methylimidazol-2-yl)-2-(1-methylpyrazol-3-yl)ethanamine
CID 82876706
N-methyl-1-(5-methylfuran-3-yl)-2-(4-propan-2-ylphenyl)ethanamine
CID 115844127
[1-(2,6-dimethyl-4-pyridinyl)-2-(1-methylpyrazol-3-yl)ethyl]hydrazine
CID 107504950
1-(2-bromo-3-methylphenyl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 114024237

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(5-methylfuran-3-yl)-2-(1-methylpyrazol-3-yl)ethanamine?
The IUPAC name of N-methyl-1-(5-methylfuran-3-yl)-2-(1-methylpyrazol-3-yl)ethanamine (CID 105025275) is N-methyl-1-(5-methylfuran-3-yl)-2-(1-methylpyrazol-3-yl)ethanamine.
What is the SMILES notation for N-methyl-1-(5-methylfuran-3-yl)-2-(1-methylpyrazol-3-yl)ethanamine?
The canonical SMILES for N-methyl-1-(5-methylfuran-3-yl)-2-(1-methylpyrazol-3-yl)ethanamine is CNC(Cc1ccn(C)n1)c1coc(C)c1.
What is the InChIKey of N-methyl-1-(5-methylfuran-3-yl)-2-(1-methylpyrazol-3-yl)ethanamine?
The InChIKey is KIMODKDRIYSOKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-9-6-10(8-16-9)12(13-2)7-11-4-5-15(3)14-11/h4-6,8,12-13H,7H2,1-3H3.
What are the key properties of N-methyl-1-(5-methylfuran-3-yl)-2-(1-methylpyrazol-3-yl)ethanamine?
N-methyl-1-(5-methylfuran-3-yl)-2-(1-methylpyrazol-3-yl)ethanamine 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 N-methyl-1-(5-methylfuran-3-yl)-2-(1-methylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 105025275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).