N-(furan-3-ylmethyl)-2-(1-methylpyrazol-3-yl)ethanamine

C11H15N3O — CID 104626797

IUPACN-(furan-3-ylmethyl)-2-(1-methylpyrazol-3-yl)ethanamine
SMILESCn1ccc(CCNCc2ccoc2)n1
InChIInChI=1S/C11H15N3O/c1-14-6-3-11(13-14)2-5-12-8-10-4-7-15-9-10/h3-4,6-7,9,12H,2,5,8H2,1H3
InChIKeyKXSVMWMUWDWIJD-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.35
Rot. Bonds5

About N-(furan-3-ylmethyl)-2-(1-methylpyrazol-3-yl)ethanamine

N-(furan-3-ylmethyl)-2-(1-methylpyrazol-3-yl)ethanamine (PubChem CID 104626797) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is N-(furan-3-ylmethyl)-2-(1-methylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound NameN-(furan-3-ylmethyl)-2-(1-methylpyrazol-3-yl)ethanamine
PubChem CID104626797
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC NameN-(furan-3-ylmethyl)-2-(1-methylpyrazol-3-yl)ethanamine
SMILESCn1ccc(CCNCc2ccoc2)n1
InChIInChI=1S/C11H15N3O/c1-14-6-3-11(13-14)2-5-12-8-10-4-7-15-9-10/h3-4,6-7,9,12H,2,5,8H2,1H3
InChIKeyKXSVMWMUWDWIJD-UHFFFAOYSA-N
XLogP1.35
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.35
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-[(4-methylphenyl)methyl]-2-(1-methylpyrazol-3-yl)ethanamine
CID 104626931
N-[(3,5-dimethoxyphenyl)methyl]-2-(1-methylpyrazol-3-yl)ethanamine
CID 104626842
N-[(3-fluoro-4-methylphenyl)methyl]-2-(1-methylpyrazol-3-yl)ethanamine
CID 104626984
N-[(5-methylfuran-2-yl)methyl]-2-(1-methylpyrazol-3-yl)ethanamine
CID 104627021
2-(1-methylpyrazol-3-yl)-N-[(4-propan-2-yloxyphenyl)methyl]ethanamine
CID 104626899
2-(1-methylpyrazol-3-yl)-N-[(1-methyltriazol-4-yl)methyl]ethanamine
CID 104626854
[5-[[2-(1-methylpyrazol-3-yl)ethylamino]methyl]furan-2-yl]methanol
CID 104626918
N-[(2-chlorophenyl)methyl]-2-(1-methylpyrazol-3-yl)ethanamine
CID 113434541
2-(1-methylpyrazol-3-yl)-N-[(2,4,5-trimethylphenyl)methyl]ethanamine
CID 104627051
N-[(2-ethylpyrazol-3-yl)methyl]-2-(1-methylpyrazol-3-yl)ethanamine
CID 104626945
N-[2-(1-methylpyrazol-3-yl)ethyl]prop-2-yn-1-amine
CID 106104362
2,2-dimethyl-N-[2-(1-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 104626821

Frequently Asked Questions

What is the IUPAC name of N-(furan-3-ylmethyl)-2-(1-methylpyrazol-3-yl)ethanamine?
The IUPAC name of N-(furan-3-ylmethyl)-2-(1-methylpyrazol-3-yl)ethanamine (CID 104626797) is N-(furan-3-ylmethyl)-2-(1-methylpyrazol-3-yl)ethanamine.
What is the SMILES notation for N-(furan-3-ylmethyl)-2-(1-methylpyrazol-3-yl)ethanamine?
The canonical SMILES for N-(furan-3-ylmethyl)-2-(1-methylpyrazol-3-yl)ethanamine is Cn1ccc(CCNCc2ccoc2)n1.
What is the InChIKey of N-(furan-3-ylmethyl)-2-(1-methylpyrazol-3-yl)ethanamine?
The InChIKey is KXSVMWMUWDWIJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-14-6-3-11(13-14)2-5-12-8-10-4-7-15-9-10/h3-4,6-7,9,12H,2,5,8H2,1H3.
What are the key properties of N-(furan-3-ylmethyl)-2-(1-methylpyrazol-3-yl)ethanamine?
N-(furan-3-ylmethyl)-2-(1-methylpyrazol-3-yl)ethanamine has a molecular weight of 205.26 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-3-ylmethyl)-2-(1-methylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 104626797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).