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

C15H23N3O — CID 106888759

IUPACN-[[3-(1-ethyl-3,5-dimethylpyrazol-4-yl)furan-2-yl]methyl]propan-1-amine
SMILESCCCNCc1occc1-c1c(C)nn(CC)c1C
InChIInChI=1S/C15H23N3O/c1-5-8-16-10-14-13(7-9-19-14)15-11(3)17-18(6-2)12(15)4/h7,9,16H,5-6,8,10H2,1-4H3
InChIKeySTAJEAMULKHEQI-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.28
Rot. Bonds6

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

N-[[3-(1-ethyl-3,5-dimethylpyrazol-4-yl)furan-2-yl]methyl]propan-1-amine (PubChem CID 106888759) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is N-[[3-(1-ethyl-3,5-dimethylpyrazol-4-yl)furan-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3-(1-ethyl-3,5-dimethylpyrazol-4-yl)furan-2-yl]methyl]propan-1-amine
PubChem CID106888759
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC NameN-[[3-(1-ethyl-3,5-dimethylpyrazol-4-yl)furan-2-yl]methyl]propan-1-amine
SMILESCCCNCc1occc1-c1c(C)nn(CC)c1C
InChIInChI=1S/C15H23N3O/c1-5-8-16-10-14-13(7-9-19-14)15-11(3)17-18(6-2)12(15)4/h7,9,16H,5-6,8,10H2,1-4H3
InChIKeySTAJEAMULKHEQI-UHFFFAOYSA-N
XLogP3.28
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.28
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-[[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)phenyl]methyl]propan-1-amine
CID 63805160
N-[[3-(2,4,6-trimethylphenyl)furan-2-yl]methyl]propan-1-amine
CID 106887808
N-[[3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]furan-2-yl]methyl]propan-1-amine
CID 62447871
N-[[3-(2,5-dimethylphenyl)furan-2-yl]methyl]propan-1-amine
CID 106887023
N-[[3-(1,4-dimethylpyrazol-5-yl)furan-2-yl]methyl]propan-1-amine
CID 112742390
N-[[3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-4-methylphenyl]methyl]ethanamine
CID 105409982
N-[[3-(6-methyl-3-pyridinyl)furan-2-yl]methyl]propan-1-amine
CID 106887175
N-[[3-(1-methyl-3-propylpyrazol-4-yl)furan-2-yl]methyl]propan-1-amine
CID 106888846
N-[1-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)phenyl]ethyl]propan-1-amine
CID 63804817
N-[[4-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-methylphenyl]methyl]ethanamine
CID 66480856
3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-4-methylaniline
CID 63805681
N-[[3-(5-methylthiophen-3-yl)furan-2-yl]methyl]propan-1-amine
CID 106887380

Frequently Asked Questions

What is the IUPAC name of N-[[3-(1-ethyl-3,5-dimethylpyrazol-4-yl)furan-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[3-(1-ethyl-3,5-dimethylpyrazol-4-yl)furan-2-yl]methyl]propan-1-amine (CID 106888759) is N-[[3-(1-ethyl-3,5-dimethylpyrazol-4-yl)furan-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3-(1-ethyl-3,5-dimethylpyrazol-4-yl)furan-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[3-(1-ethyl-3,5-dimethylpyrazol-4-yl)furan-2-yl]methyl]propan-1-amine is CCCNCc1occc1-c1c(C)nn(CC)c1C.
What is the InChIKey of N-[[3-(1-ethyl-3,5-dimethylpyrazol-4-yl)furan-2-yl]methyl]propan-1-amine?
The InChIKey is STAJEAMULKHEQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-5-8-16-10-14-13(7-9-19-14)15-11(3)17-18(6-2)12(15)4/h7,9,16H,5-6,8,10H2,1-4H3.
What are the key properties of N-[[3-(1-ethyl-3,5-dimethylpyrazol-4-yl)furan-2-yl]methyl]propan-1-amine?
N-[[3-(1-ethyl-3,5-dimethylpyrazol-4-yl)furan-2-yl]methyl]propan-1-amine has a molecular weight of 261.37 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(1-ethyl-3,5-dimethylpyrazol-4-yl)furan-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 106888759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).