1-[5-(3-ethyl-1-methylpyrazol-4-yl)furan-2-yl]-N-methylmethanamine

C12H17N3O — CID 106888835

IUPAC1-[5-(3-ethyl-1-methylpyrazol-4-yl)furan-2-yl]-N-methylmethanamine
SMILESCCc1nn(C)cc1-c1ccc(CNC)o1
InChIInChI=1S/C12H17N3O/c1-4-11-10(8-15(3)14-11)12-6-5-9(16-12)7-13-2/h5-6,8,13H,4,7H2,1-3H3
InChIKeyDQJOPCQAPUAICO-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.96
Rot. Bonds4

About 1-[5-(3-ethyl-1-methylpyrazol-4-yl)furan-2-yl]-N-methylmethanamine

1-[5-(3-ethyl-1-methylpyrazol-4-yl)furan-2-yl]-N-methylmethanamine (PubChem CID 106888835) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 1-[5-(3-ethyl-1-methylpyrazol-4-yl)furan-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-(3-ethyl-1-methylpyrazol-4-yl)furan-2-yl]-N-methylmethanamine
PubChem CID106888835
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name1-[5-(3-ethyl-1-methylpyrazol-4-yl)furan-2-yl]-N-methylmethanamine
SMILESCCc1nn(C)cc1-c1ccc(CNC)o1
InChIInChI=1S/C12H17N3O/c1-4-11-10(8-15(3)14-11)12-6-5-9(16-12)7-13-2/h5-6,8,13H,4,7H2,1-3H3
InChIKeyDQJOPCQAPUAICO-UHFFFAOYSA-N
XLogP1.96
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 ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-(1-methyl-3-propylpyrazol-4-yl)furan-2-yl]methyl]propan-2-amine
CID 106888845
1-[2-(3-ethyl-1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 112670757
1-[4-(3-ethyl-1-methylpyrazol-4-yl)-3-methylphenyl]-N-methylmethanamine
CID 66479456
1-[2-(3-ethyl-1-methylpyrazol-4-yl)-4-fluorophenyl]-N-methylmethanamine
CID 114060527
4-(3-ethyl-1-methylpyrazol-4-yl)-2-methylaniline
CID 66008901
3-ethyl-1-methyl-4-(4-methylphenyl)pyrazole
CID 70791517
N-[[5-(3-ethyl-1-methylpyrazol-4-yl)-1,3-oxazol-2-yl]methyl]propan-1-amine
CID 102811471
N-methyl-1-[5-(1-propylimidazol-2-yl)furan-2-yl]methanamine
CID 106887317
N-[[5-(1-methyl-3-propan-2-ylpyrazol-4-yl)furan-2-yl]methyl]cyclopropanamine
CID 106888858
[5-(1-methyl-3-propan-2-ylpyrazol-4-yl)furan-2-yl]methanamine
CID 106888861
1-[5-(2-chlorophenyl)furan-2-yl]-N-methylmethanamine;hydrochloride
CID 6473590
1-[5-(2,5-dimethylphenyl)furan-2-yl]-N-methylmethanamine
CID 43624822

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-ethyl-1-methylpyrazol-4-yl)furan-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-(3-ethyl-1-methylpyrazol-4-yl)furan-2-yl]-N-methylmethanamine (CID 106888835) is 1-[5-(3-ethyl-1-methylpyrazol-4-yl)furan-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-(3-ethyl-1-methylpyrazol-4-yl)furan-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-(3-ethyl-1-methylpyrazol-4-yl)furan-2-yl]-N-methylmethanamine is CCc1nn(C)cc1-c1ccc(CNC)o1.
What is the InChIKey of 1-[5-(3-ethyl-1-methylpyrazol-4-yl)furan-2-yl]-N-methylmethanamine?
The InChIKey is DQJOPCQAPUAICO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-4-11-10(8-15(3)14-11)12-6-5-9(16-12)7-13-2/h5-6,8,13H,4,7H2,1-3H3.
What are the key properties of 1-[5-(3-ethyl-1-methylpyrazol-4-yl)furan-2-yl]-N-methylmethanamine?
1-[5-(3-ethyl-1-methylpyrazol-4-yl)furan-2-yl]-N-methylmethanamine has a molecular weight of 219.29 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-ethyl-1-methylpyrazol-4-yl)furan-2-yl]-N-methylmethanamine is sourced from PubChem (CID 106888835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).