N-[(2-ethylfuran-3-yl)-(1-methylpyrazol-4-yl)methyl]ethanamine

C13H19N3O — CID 114104180

IUPACN-[(2-ethylfuran-3-yl)-(1-methylpyrazol-4-yl)methyl]ethanamine
SMILESCCNC(c1cnn(C)c1)c1ccoc1CC
InChIInChI=1S/C13H19N3O/c1-4-12-11(6-7-17-12)13(14-5-2)10-8-15-16(3)9-10/h6-9,13-14H,4-5H2,1-3H3
InChIKeyHCIJRMWBQUPWKJ-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.27
Rot. Bonds5

About N-[(2-ethylfuran-3-yl)-(1-methylpyrazol-4-yl)methyl]ethanamine

N-[(2-ethylfuran-3-yl)-(1-methylpyrazol-4-yl)methyl]ethanamine (PubChem CID 114104180) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is N-[(2-ethylfuran-3-yl)-(1-methylpyrazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-ethylfuran-3-yl)-(1-methylpyrazol-4-yl)methyl]ethanamine
PubChem CID114104180
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC NameN-[(2-ethylfuran-3-yl)-(1-methylpyrazol-4-yl)methyl]ethanamine
SMILESCCNC(c1cnn(C)c1)c1ccoc1CC
InChIInChI=1S/C13H19N3O/c1-4-12-11(6-7-17-12)13(14-5-2)10-8-15-16(3)9-10/h6-9,13-14H,4-5H2,1-3H3
InChIKeyHCIJRMWBQUPWKJ-UHFFFAOYSA-N
XLogP2.27
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-ethylfuran-3-yl)-pyrimidin-5-ylmethyl]ethanamine
CID 114104199
N-[(3-methylfuran-2-yl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 43492376
N-[(1-methylpyrazol-4-yl)-naphthalen-1-ylmethyl]ethanamine
CID 43492495
N-[(1-methylpyrazol-4-yl)-quinolin-4-ylmethyl]ethanamine
CID 105104643
N-[(3-ethyl-1-methylpyrazol-4-yl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 102812063
N-[(2,3-dimethylphenyl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 43492469
N-[(5-chlorofuran-2-yl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 106691547
N-[(3-bromo-2-methylphenyl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 115808627
N-[(2-fluoro-3-methoxyphenyl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 82808028
N-[(1-methylpyrazol-4-yl)-(3-phenyltriazol-4-yl)methyl]ethanamine
CID 114687984
[(2-chlorofuran-3-yl)-(1-methylpyrazol-4-yl)methyl]hydrazine
CID 106694209
N-[(2,5-dibromothiophen-3-yl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 107967975

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethylfuran-3-yl)-(1-methylpyrazol-4-yl)methyl]ethanamine?
The IUPAC name of N-[(2-ethylfuran-3-yl)-(1-methylpyrazol-4-yl)methyl]ethanamine (CID 114104180) is N-[(2-ethylfuran-3-yl)-(1-methylpyrazol-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2-ethylfuran-3-yl)-(1-methylpyrazol-4-yl)methyl]ethanamine?
The canonical SMILES for N-[(2-ethylfuran-3-yl)-(1-methylpyrazol-4-yl)methyl]ethanamine is CCNC(c1cnn(C)c1)c1ccoc1CC.
What is the InChIKey of N-[(2-ethylfuran-3-yl)-(1-methylpyrazol-4-yl)methyl]ethanamine?
The InChIKey is HCIJRMWBQUPWKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-4-12-11(6-7-17-12)13(14-5-2)10-8-15-16(3)9-10/h6-9,13-14H,4-5H2,1-3H3.
What are the key properties of N-[(2-ethylfuran-3-yl)-(1-methylpyrazol-4-yl)methyl]ethanamine?
N-[(2-ethylfuran-3-yl)-(1-methylpyrazol-4-yl)methyl]ethanamine has a molecular weight of 233.31 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethylfuran-3-yl)-(1-methylpyrazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 114104180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).