N-[[3-(1-methyl-3-propylpyrazol-4-yl)furan-2-yl]methyl]propan-1-amine

C15H23N3O — CID 106888846

IUPACN-[[3-(1-methyl-3-propylpyrazol-4-yl)furan-2-yl]methyl]propan-1-amine
SMILESCCCNCc1occc1-c1cn(C)nc1CCC
InChIInChI=1S/C15H23N3O/c1-4-6-14-13(11-18(3)17-14)12-7-9-19-15(12)10-16-8-5-2/h7,9,11,16H,4-6,8,10H2,1-3H3
InChIKeyVKGGSIJDIHFZSC-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.13
Rot. Bonds7

About N-[[3-(1-methyl-3-propylpyrazol-4-yl)furan-2-yl]methyl]propan-1-amine

N-[[3-(1-methyl-3-propylpyrazol-4-yl)furan-2-yl]methyl]propan-1-amine (PubChem CID 106888846) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is N-[[3-(1-methyl-3-propylpyrazol-4-yl)furan-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3-(1-methyl-3-propylpyrazol-4-yl)furan-2-yl]methyl]propan-1-amine
PubChem CID106888846
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC NameN-[[3-(1-methyl-3-propylpyrazol-4-yl)furan-2-yl]methyl]propan-1-amine
SMILESCCCNCc1occc1-c1cn(C)nc1CCC
InChIInChI=1S/C15H23N3O/c1-4-6-14-13(11-18(3)17-14)12-7-9-19-15(12)10-16-8-5-2/h7,9,11,16H,4-6,8,10H2,1-3H3
InChIKeyVKGGSIJDIHFZSC-UHFFFAOYSA-N
XLogP3.13
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.13
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-(3-ethyl-1-methylpyrazol-4-yl)phenyl]methyl]propan-1-amine
CID 66008721
N-[[3-(1,4-dimethylpyrazol-5-yl)furan-2-yl]methyl]propan-1-amine
CID 112742390
N-[[3-(2,5-dimethylphenyl)furan-2-yl]methyl]propan-1-amine
CID 106887023
N-[[3-(6-methyl-3-pyridinyl)furan-2-yl]methyl]propan-1-amine
CID 106887175
N-[[3-(1-ethyl-3,5-dimethylpyrazol-4-yl)furan-2-yl]methyl]propan-1-amine
CID 106888759
1-(3-ethyl-1-methylpyrazol-4-yl)-N-[(3-methylfuran-2-yl)methyl]methanamine
CID 113347984
N-[[3-(2,4,6-trimethylphenyl)furan-2-yl]methyl]propan-1-amine
CID 106887808
N-[[2-(1-methyl-3-propylpyrazol-4-yl)phenyl]methyl]propan-2-amine
CID 66010129
N-[[5-(3-ethyl-1-methylpyrazol-4-yl)-1,3-oxazol-2-yl]methyl]propan-1-amine
CID 102811471
N-[[5-(1-methyl-3-propylpyrazol-4-yl)furan-2-yl]methyl]propan-2-amine
CID 106888845
N-[[3-(2-methoxy-3,4-dimethylphenyl)furan-2-yl]methyl]propan-1-amine
CID 106888317
N-[[3-(2-chloro-4-fluorophenyl)furan-2-yl]methyl]propan-1-amine
CID 106887842

Frequently Asked Questions

What is the IUPAC name of N-[[3-(1-methyl-3-propylpyrazol-4-yl)furan-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[3-(1-methyl-3-propylpyrazol-4-yl)furan-2-yl]methyl]propan-1-amine (CID 106888846) is N-[[3-(1-methyl-3-propylpyrazol-4-yl)furan-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3-(1-methyl-3-propylpyrazol-4-yl)furan-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[3-(1-methyl-3-propylpyrazol-4-yl)furan-2-yl]methyl]propan-1-amine is CCCNCc1occc1-c1cn(C)nc1CCC.
What is the InChIKey of N-[[3-(1-methyl-3-propylpyrazol-4-yl)furan-2-yl]methyl]propan-1-amine?
The InChIKey is VKGGSIJDIHFZSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-4-6-14-13(11-18(3)17-14)12-7-9-19-15(12)10-16-8-5-2/h7,9,11,16H,4-6,8,10H2,1-3H3.
What are the key properties of N-[[3-(1-methyl-3-propylpyrazol-4-yl)furan-2-yl]methyl]propan-1-amine?
N-[[3-(1-methyl-3-propylpyrazol-4-yl)furan-2-yl]methyl]propan-1-amine has a molecular weight of 261.37 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(1-methyl-3-propylpyrazol-4-yl)furan-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 106888846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).