1-[5-(1,3-dimethylpyrazol-4-yl)furan-2-yl]-N-methylmethanamine

C11H15N3O — CID 102806884

IUPAC1-[5-(1,3-dimethylpyrazol-4-yl)furan-2-yl]-N-methylmethanamine
SMILESCNCc1ccc(-c2cn(C)nc2C)o1
InChIInChI=1S/C11H15N3O/c1-8-10(7-14(3)13-8)11-5-4-9(15-11)6-12-2/h4-5,7,12H,6H2,1-3H3
InChIKeyMGRGVEIAWPCJTI-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.71
Rot. Bonds3

About 1-[5-(1,3-dimethylpyrazol-4-yl)furan-2-yl]-N-methylmethanamine

1-[5-(1,3-dimethylpyrazol-4-yl)furan-2-yl]-N-methylmethanamine (PubChem CID 102806884) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 1-[5-(1,3-dimethylpyrazol-4-yl)furan-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-(1,3-dimethylpyrazol-4-yl)furan-2-yl]-N-methylmethanamine
PubChem CID102806884
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name1-[5-(1,3-dimethylpyrazol-4-yl)furan-2-yl]-N-methylmethanamine
SMILESCNCc1ccc(-c2cn(C)nc2C)o1
InChIInChI=1S/C11H15N3O/c1-8-10(7-14(3)13-8)11-5-4-9(15-11)6-12-2/h4-5,7,12H,6H2,1-3H3
InChIKeyMGRGVEIAWPCJTI-UHFFFAOYSA-N
XLogP1.71
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(1,3-dimethylpyrazol-4-yl)furan-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-(1,3-dimethylpyrazol-4-yl)furan-2-yl]-N-methylmethanamine (CID 102806884) is 1-[5-(1,3-dimethylpyrazol-4-yl)furan-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-(1,3-dimethylpyrazol-4-yl)furan-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-(1,3-dimethylpyrazol-4-yl)furan-2-yl]-N-methylmethanamine is CNCc1ccc(-c2cn(C)nc2C)o1.
What is the InChIKey of 1-[5-(1,3-dimethylpyrazol-4-yl)furan-2-yl]-N-methylmethanamine?
The InChIKey is MGRGVEIAWPCJTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-8-10(7-14(3)13-8)11-5-4-9(15-11)6-12-2/h4-5,7,12H,6H2,1-3H3.
What are the key properties of 1-[5-(1,3-dimethylpyrazol-4-yl)furan-2-yl]-N-methylmethanamine?
1-[5-(1,3-dimethylpyrazol-4-yl)furan-2-yl]-N-methylmethanamine has a molecular weight of 205.26 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1,3-dimethylpyrazol-4-yl)furan-2-yl]-N-methylmethanamine is sourced from PubChem (CID 102806884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).