N-[[5-(furan-2-yl)-1H-pyrazol-4-yl]methyl]-2-methoxyethanamine

C11H15N3O2 — CID 79484773

IUPACN-[[5-(furan-2-yl)-1H-pyrazol-4-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1cn[nH]c1-c1ccco1
InChIInChI=1S/C11H15N3O2/c1-15-6-4-12-7-9-8-13-14-11(9)10-3-2-5-16-10/h2-3,5,8,12H,4,6-7H2,1H3,(H,13,14)
InChIKeyTZHZOOIYYTXZBR-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.41
Rot. Bonds6

About N-[[5-(furan-2-yl)-1H-pyrazol-4-yl]methyl]-2-methoxyethanamine

N-[[5-(furan-2-yl)-1H-pyrazol-4-yl]methyl]-2-methoxyethanamine (PubChem CID 79484773) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is N-[[5-(furan-2-yl)-1H-pyrazol-4-yl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[5-(furan-2-yl)-1H-pyrazol-4-yl]methyl]-2-methoxyethanamine
PubChem CID79484773
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC NameN-[[5-(furan-2-yl)-1H-pyrazol-4-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1cn[nH]c1-c1ccco1
InChIInChI=1S/C11H15N3O2/c1-15-6-4-12-7-9-8-13-14-11(9)10-3-2-5-16-10/h2-3,5,8,12H,4,6-7H2,1H3,(H,13,14)
InChIKeyTZHZOOIYYTXZBR-UHFFFAOYSA-N
XLogP1.41
TPSA63.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.41
H-Bond Donors ≤ 52
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-(2-iodophenyl)-1H-pyrazol-4-yl]methyl]-2-methoxyethanamine
CID 79485192
2-methoxy-N-[[5-(2-nitrophenyl)-1H-pyrazol-4-yl]methyl]ethanamine
CID 79484853
N-[[5-(3-chlorophenyl)-1H-pyrazol-4-yl]methyl]-2-methoxyethanamine
CID 79484935
[5-(furan-2-yl)-1H-pyrazol-4-yl]methanamine
CID 79487509
4-[4-[(2-methoxyethylamino)methyl]-1H-pyrazol-5-yl]benzonitrile
CID 79485589
N-[[5-(3,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-2-methoxyethanamine
CID 79485108
2-methoxy-N-[(5-propan-2-yl-1H-pyrazol-4-yl)methyl]ethanamine
CID 66442658
N'-(2-methoxyethyl)-N'-methyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]ethane-1,2-diamine
CID 62843067
2-[2-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]ethoxy]ethanol
CID 43771485
1-(furan-2-yl)-N-[[5-(2-methoxyphenyl)-1H-pyrazol-4-yl]methyl]methanamine
CID 126456916
N-[[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine
CID 47271559
1-(furan-2-yl)-2-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methylamino]ethanol
CID 110889941

Frequently Asked Questions

What is the IUPAC name of N-[[5-(furan-2-yl)-1H-pyrazol-4-yl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[5-(furan-2-yl)-1H-pyrazol-4-yl]methyl]-2-methoxyethanamine (CID 79484773) is N-[[5-(furan-2-yl)-1H-pyrazol-4-yl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[5-(furan-2-yl)-1H-pyrazol-4-yl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[5-(furan-2-yl)-1H-pyrazol-4-yl]methyl]-2-methoxyethanamine is COCCNCc1cn[nH]c1-c1ccco1.
What is the InChIKey of N-[[5-(furan-2-yl)-1H-pyrazol-4-yl]methyl]-2-methoxyethanamine?
The InChIKey is TZHZOOIYYTXZBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-15-6-4-12-7-9-8-13-14-11(9)10-3-2-5-16-10/h2-3,5,8,12H,4,6-7H2,1H3,(H,13,14).
What are the key properties of N-[[5-(furan-2-yl)-1H-pyrazol-4-yl]methyl]-2-methoxyethanamine?
N-[[5-(furan-2-yl)-1H-pyrazol-4-yl]methyl]-2-methoxyethanamine has a molecular weight of 221.26 g/mol, XLogP of 1.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(furan-2-yl)-1H-pyrazol-4-yl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 79484773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).