N-[[5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-3-methylfuran-2-yl]methyl]propan-1-amine

C17H27N3O — CID 62440418

IUPACN-[[5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-3-methylfuran-2-yl]methyl]propan-1-amine
SMILESCCCNCc1oc(Cn2nc(C)c(CC)c2C)cc1C
InChIInChI=1S/C17H27N3O/c1-6-8-18-10-17-12(3)9-15(21-17)11-20-14(5)16(7-2)13(4)19-20/h9,18H,6-8,10-11H2,1-5H3
InChIKeyUXFLZNQVWVAPGA-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.51
Rot. Bonds7

About N-[[5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-3-methylfuran-2-yl]methyl]propan-1-amine

N-[[5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-3-methylfuran-2-yl]methyl]propan-1-amine (PubChem CID 62440418) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-[[5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-3-methylfuran-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-3-methylfuran-2-yl]methyl]propan-1-amine
PubChem CID62440418
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-[[5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-3-methylfuran-2-yl]methyl]propan-1-amine
SMILESCCCNCc1oc(Cn2nc(C)c(CC)c2C)cc1C
InChIInChI=1S/C17H27N3O/c1-6-8-18-10-17-12(3)9-15(21-17)11-20-14(5)16(7-2)13(4)19-20/h9,18H,6-8,10-11H2,1-5H3
InChIKeyUXFLZNQVWVAPGA-UHFFFAOYSA-N
XLogP3.51
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[5-[(3,5-diethylpyrazol-1-yl)methyl]-3-methylfuran-2-yl]methyl]propan-1-amine
CID 82699299
N-[[5-[(3,5-dimethylpyrazol-1-yl)methyl]-3-methylfuran-2-yl]methyl]propan-1-amine
CID 55072792
N-[[5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-3-methylfuran-2-yl]methyl]ethanamine
CID 62448437
5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-3-methylfuran-2-carboxylic acid
CID 61238146
N-[[5-[(4-bromopyrazol-1-yl)methyl]-3-methylfuran-2-yl]methyl]propan-1-amine
CID 62443302
N-[[5-(indazol-1-ylmethyl)-3-methylfuran-2-yl]methyl]propan-1-amine
CID 62448827
N-[[5-[(4-ethylpiperazin-1-yl)methyl]-3-methylfuran-2-yl]methyl]propan-1-amine
CID 62418971
N-[[5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-1,2-oxazol-3-yl]methyl]ethanamine
CID 62440795
N,2-dimethyl-N-[[4-methyl-5-(propylaminomethyl)furan-2-yl]methyl]propan-1-amine
CID 62420927
N-[[5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]furan-2-yl]methyl]propan-1-amine
CID 55072879
N-[[3-methyl-5-(propoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 62451338
N-[[5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-1-amine
CID 62441163

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-3-methylfuran-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-3-methylfuran-2-yl]methyl]propan-1-amine (CID 62440418) is N-[[5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-3-methylfuran-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-3-methylfuran-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-3-methylfuran-2-yl]methyl]propan-1-amine is CCCNCc1oc(Cn2nc(C)c(CC)c2C)cc1C.
What is the InChIKey of N-[[5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-3-methylfuran-2-yl]methyl]propan-1-amine?
The InChIKey is UXFLZNQVWVAPGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-6-8-18-10-17-12(3)9-15(21-17)11-20-14(5)16(7-2)13(4)19-20/h9,18H,6-8,10-11H2,1-5H3.
What are the key properties of N-[[5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-3-methylfuran-2-yl]methyl]propan-1-amine?
N-[[5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-3-methylfuran-2-yl]methyl]propan-1-amine has a molecular weight of 289.42 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-3-methylfuran-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 62440418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).