N-[(5-methylfuran-2-yl)methyl]-1-(1-phenylpyrazol-4-yl)ethanamine

C17H19N3O — CID 81472971

IUPACN-[(5-methylfuran-2-yl)methyl]-1-(1-phenylpyrazol-4-yl)ethanamine
SMILESCc1ccc(CNC(C)c2cnn(-c3ccccc3)c2)o1
InChIInChI=1S/C17H19N3O/c1-13-8-9-17(21-13)11-18-14(2)15-10-19-20(12-15)16-6-4-3-5-7-16/h3-10,12,14,18H,11H2,1-2H3
InChIKeyNPLIAXUPIULMCO-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.62
Rot. Bonds5

About N-[(5-methylfuran-2-yl)methyl]-1-(1-phenylpyrazol-4-yl)ethanamine

N-[(5-methylfuran-2-yl)methyl]-1-(1-phenylpyrazol-4-yl)ethanamine (PubChem CID 81472971) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is N-[(5-methylfuran-2-yl)methyl]-1-(1-phenylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound NameN-[(5-methylfuran-2-yl)methyl]-1-(1-phenylpyrazol-4-yl)ethanamine
PubChem CID81472971
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC NameN-[(5-methylfuran-2-yl)methyl]-1-(1-phenylpyrazol-4-yl)ethanamine
SMILESCc1ccc(CNC(C)c2cnn(-c3ccccc3)c2)o1
InChIInChI=1S/C17H19N3O/c1-13-8-9-17(21-13)11-18-14(2)15-10-19-20(12-15)16-6-4-3-5-7-16/h3-10,12,14,18H,11H2,1-2H3
InChIKeyNPLIAXUPIULMCO-UHFFFAOYSA-N
XLogP3.62
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-methylpyrazol-3-yl)methyl]-1-(1-phenylpyrazol-4-yl)ethanamine
CID 81297961
N-(1,2-oxazol-3-ylmethyl)-1-(1-phenylpyrazol-4-yl)ethanamine
CID 81343580
2-[1-(1-phenylpyrazol-4-yl)ethylamino]ethanol
CID 81302041
1-(1-phenylpyrazol-4-yl)ethylhydrazine
CID 81470645
N-(oxolan-3-ylmethyl)-1-(1-phenylpyrazol-4-yl)ethanamine
CID 81328589
N-(2-ethylsulfonylethyl)-1-(1-phenylpyrazol-4-yl)ethanamine
CID 103780937
2-[1-(1-phenylpyrazol-4-yl)ethylamino]acetamide
CID 81470640
1-[1-(1-phenylpyrazol-4-yl)ethylamino]pentan-3-ol
CID 115729125
2-[1-(1-phenylpyrazol-4-yl)ethylamino]ethanesulfonamide
CID 81470721
methyl 3-[1-(1-phenylpyrazol-4-yl)ethylamino]propanoate
CID 81471467
2,2-difluoro-3-[1-(1-phenylpyrazol-4-yl)ethylamino]propan-1-ol
CID 104860544
N-methoxy-1-(1-phenylpyrazol-4-yl)ethanamine
CID 82706482

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylfuran-2-yl)methyl]-1-(1-phenylpyrazol-4-yl)ethanamine?
The IUPAC name of N-[(5-methylfuran-2-yl)methyl]-1-(1-phenylpyrazol-4-yl)ethanamine (CID 81472971) is N-[(5-methylfuran-2-yl)methyl]-1-(1-phenylpyrazol-4-yl)ethanamine.
What is the SMILES notation for N-[(5-methylfuran-2-yl)methyl]-1-(1-phenylpyrazol-4-yl)ethanamine?
The canonical SMILES for N-[(5-methylfuran-2-yl)methyl]-1-(1-phenylpyrazol-4-yl)ethanamine is Cc1ccc(CNC(C)c2cnn(-c3ccccc3)c2)o1.
What is the InChIKey of N-[(5-methylfuran-2-yl)methyl]-1-(1-phenylpyrazol-4-yl)ethanamine?
The InChIKey is NPLIAXUPIULMCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-13-8-9-17(21-13)11-18-14(2)15-10-19-20(12-15)16-6-4-3-5-7-16/h3-10,12,14,18H,11H2,1-2H3.
What are the key properties of N-[(5-methylfuran-2-yl)methyl]-1-(1-phenylpyrazol-4-yl)ethanamine?
N-[(5-methylfuran-2-yl)methyl]-1-(1-phenylpyrazol-4-yl)ethanamine has a molecular weight of 281.36 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylfuran-2-yl)methyl]-1-(1-phenylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 81472971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).