1-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-N-[(5-methylfuran-2-yl)methyl]methanamine

C17H20N4O — CID 47052518

IUPAC1-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-N-[(5-methylfuran-2-yl)methyl]methanamine
SMILESCc1cc(C)n(-c2ccc(CNCc3ccc(C)o3)cn2)n1
InChIInChI=1S/C17H20N4O/c1-12-8-13(2)21(20-12)17-7-5-15(10-19-17)9-18-11-16-6-4-14(3)22-16/h4-8,10,18H,9,11H2,1-3H3
InChIKeyHFRUYSVLERAGJA-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.08
Rot. Bonds5

About 1-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-N-[(5-methylfuran-2-yl)methyl]methanamine

1-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-N-[(5-methylfuran-2-yl)methyl]methanamine (PubChem CID 47052518) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is 1-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-N-[(5-methylfuran-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-N-[(5-methylfuran-2-yl)methyl]methanamine
PubChem CID47052518
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name1-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-N-[(5-methylfuran-2-yl)methyl]methanamine
SMILESCc1cc(C)n(-c2ccc(CNCc3ccc(C)o3)cn2)n1
InChIInChI=1S/C17H20N4O/c1-12-8-13(2)21(20-12)17-7-5-15(10-19-17)9-18-11-16-6-4-14(3)22-16/h4-8,10,18H,9,11H2,1-3H3
InChIKeyHFRUYSVLERAGJA-UHFFFAOYSA-N
XLogP3.08
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-N-[(5-methylfuran-2-yl)methyl]methanamine?
The IUPAC name of 1-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-N-[(5-methylfuran-2-yl)methyl]methanamine (CID 47052518) is 1-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-N-[(5-methylfuran-2-yl)methyl]methanamine.
What is the SMILES notation for 1-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-N-[(5-methylfuran-2-yl)methyl]methanamine?
The canonical SMILES for 1-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-N-[(5-methylfuran-2-yl)methyl]methanamine is Cc1cc(C)n(-c2ccc(CNCc3ccc(C)o3)cn2)n1.
What is the InChIKey of 1-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-N-[(5-methylfuran-2-yl)methyl]methanamine?
The InChIKey is HFRUYSVLERAGJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-12-8-13(2)21(20-12)17-7-5-15(10-19-17)9-18-11-16-6-4-14(3)22-16/h4-8,10,18H,9,11H2,1-3H3.
What are the key properties of 1-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-N-[(5-methylfuran-2-yl)methyl]methanamine?
1-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-N-[(5-methylfuran-2-yl)methyl]methanamine has a molecular weight of 296.37 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-N-[(5-methylfuran-2-yl)methyl]methanamine is sourced from PubChem (CID 47052518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).