[5-[[2-(1-methylpyrazol-3-yl)ethylamino]methyl]furan-2-yl]methanol

C12H17N3O2 — CID 104626918

IUPAC[5-[[2-(1-methylpyrazol-3-yl)ethylamino]methyl]furan-2-yl]methanol
SMILESCn1ccc(CCNCc2ccc(CO)o2)n1
InChIInChI=1S/C12H17N3O2/c1-15-7-5-10(14-15)4-6-13-8-11-2-3-12(9-16)17-11/h2-3,5,7,13,16H,4,6,8-9H2,1H3
InChIKeyOMSBZENXUHXIOD-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.84
Rot. Bonds6

About [5-[[2-(1-methylpyrazol-3-yl)ethylamino]methyl]furan-2-yl]methanol

[5-[[2-(1-methylpyrazol-3-yl)ethylamino]methyl]furan-2-yl]methanol (PubChem CID 104626918) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is [5-[[2-(1-methylpyrazol-3-yl)ethylamino]methyl]furan-2-yl]methanol.

Molecular Properties

Compound Name[5-[[2-(1-methylpyrazol-3-yl)ethylamino]methyl]furan-2-yl]methanol
PubChem CID104626918
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name[5-[[2-(1-methylpyrazol-3-yl)ethylamino]methyl]furan-2-yl]methanol
SMILESCn1ccc(CCNCc2ccc(CO)o2)n1
InChIInChI=1S/C12H17N3O2/c1-15-7-5-10(14-15)4-6-13-8-11-2-3-12(9-16)17-11/h2-3,5,7,13,16H,4,6,8-9H2,1H3
InChIKeyOMSBZENXUHXIOD-UHFFFAOYSA-N
XLogP0.84
TPSA63.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(5-methylfuran-2-yl)methyl]-2-(1-methylpyrazol-3-yl)ethanamine
CID 104627021
5-(ethylaminomethyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]furan-2-sulfonamide
CID 106106529
N-[(5-ethylfuran-2-yl)methyl]-1-(1-methylpyrazol-3-yl)methanamine
CID 82882280
2-[2-(1-methylpyrazol-3-yl)ethylamino]acetic acid
CID 106104698
N-(furan-3-ylmethyl)-2-(1-methylpyrazol-3-yl)ethanamine
CID 104626797
N-[(5-bromofuran-2-yl)methyl]-1-(1-methylpyrazol-3-yl)methanamine
CID 82882116
N-[(4-methylphenyl)methyl]-2-(1-methylpyrazol-3-yl)ethanamine
CID 104626931
(2S)-3-[2-(1-methylpyrazol-3-yl)ethylamino]propane-1,2-diol
CID 106104702
2-(1-methylpyrazol-3-yl)-N-[(1-methyltriazol-4-yl)methyl]ethanamine
CID 104626854
2-[[2-(1-methylpyrazol-3-yl)ethylamino]methyl]benzoic acid
CID 114144038
[5-[(3-imidazol-1-ylpropylamino)methyl]furan-2-yl]methanol
CID 64580128
N-[(2-ethylpyrazol-3-yl)methyl]-2-(1-methylpyrazol-3-yl)ethanamine
CID 104626945

Frequently Asked Questions

What is the IUPAC name of [5-[[2-(1-methylpyrazol-3-yl)ethylamino]methyl]furan-2-yl]methanol?
The IUPAC name of [5-[[2-(1-methylpyrazol-3-yl)ethylamino]methyl]furan-2-yl]methanol (CID 104626918) is [5-[[2-(1-methylpyrazol-3-yl)ethylamino]methyl]furan-2-yl]methanol.
What is the SMILES notation for [5-[[2-(1-methylpyrazol-3-yl)ethylamino]methyl]furan-2-yl]methanol?
The canonical SMILES for [5-[[2-(1-methylpyrazol-3-yl)ethylamino]methyl]furan-2-yl]methanol is Cn1ccc(CCNCc2ccc(CO)o2)n1.
What is the InChIKey of [5-[[2-(1-methylpyrazol-3-yl)ethylamino]methyl]furan-2-yl]methanol?
The InChIKey is OMSBZENXUHXIOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-15-7-5-10(14-15)4-6-13-8-11-2-3-12(9-16)17-11/h2-3,5,7,13,16H,4,6,8-9H2,1H3.
What are the key properties of [5-[[2-(1-methylpyrazol-3-yl)ethylamino]methyl]furan-2-yl]methanol?
[5-[[2-(1-methylpyrazol-3-yl)ethylamino]methyl]furan-2-yl]methanol has a molecular weight of 235.29 g/mol, XLogP of 0.84, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[2-(1-methylpyrazol-3-yl)ethylamino]methyl]furan-2-yl]methanol is sourced from PubChem (CID 104626918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).