N-[(5-ethylfuran-2-yl)-(1-ethylpyrazol-4-yl)methyl]ethanamine

C14H21N3O — CID 115815972

IUPACN-[(5-ethylfuran-2-yl)-(1-ethylpyrazol-4-yl)methyl]ethanamine
SMILESCCNC(c1cnn(CC)c1)c1ccc(CC)o1
InChIInChI=1S/C14H21N3O/c1-4-12-7-8-13(18-12)14(15-5-2)11-9-16-17(6-3)10-11/h7-10,14-15H,4-6H2,1-3H3
InChIKeyQVZQXLSUBLWGDU-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.76
Rot. Bonds6

About N-[(5-ethylfuran-2-yl)-(1-ethylpyrazol-4-yl)methyl]ethanamine

N-[(5-ethylfuran-2-yl)-(1-ethylpyrazol-4-yl)methyl]ethanamine (PubChem CID 115815972) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is N-[(5-ethylfuran-2-yl)-(1-ethylpyrazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-ethylfuran-2-yl)-(1-ethylpyrazol-4-yl)methyl]ethanamine
PubChem CID115815972
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC NameN-[(5-ethylfuran-2-yl)-(1-ethylpyrazol-4-yl)methyl]ethanamine
SMILESCCNC(c1cnn(CC)c1)c1ccc(CC)o1
InChIInChI=1S/C14H21N3O/c1-4-12-7-8-13(18-12)14(15-5-2)11-9-16-17(6-3)10-11/h7-10,14-15H,4-6H2,1-3H3
InChIKeyQVZQXLSUBLWGDU-UHFFFAOYSA-N
XLogP2.76
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-ethylfuran-2-yl)-(4-methylphenyl)methyl]ethanamine
CID 55061507
N-[(1-ethylpyrazol-4-yl)-(4-iodophenyl)methyl]ethanamine
CID 115815706
[(5-ethylfuran-2-yl)-(1-methylpyrazol-4-yl)methyl]hydrazine
CID 105288754
N-[(4-chlorophenyl)-(5-ethylfuran-2-yl)methyl]ethanamine
CID 62346781
4-[ethylamino-(1-ethylpyrazol-4-yl)methyl]-N,N-dimethylaniline
CID 105109386
N-[(2,4-dibromophenyl)-(1-ethylpyrazol-4-yl)methyl]ethanamine
CID 107945249
N-[(5-chlorofuran-2-yl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 106691547
N-[(1-ethylpyrazol-4-yl)-naphthalen-2-ylmethyl]ethanamine
CID 62717263
N-[(4-butylphenyl)-(5-ethylfuran-2-yl)methyl]ethanamine
CID 79094480
N-[(1-ethylpyrazol-4-yl)-(3-fluoro-4-methoxyphenyl)methyl]ethanamine
CID 115816115
N-[(4-chloro-3-methylphenyl)-(1-ethylpyrazol-4-yl)methyl]ethanamine
CID 115816140
N-[(4-bromo-2-methoxyphenyl)-(1-ethylpyrazol-4-yl)methyl]ethanamine
CID 115816130

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethylfuran-2-yl)-(1-ethylpyrazol-4-yl)methyl]ethanamine?
The IUPAC name of N-[(5-ethylfuran-2-yl)-(1-ethylpyrazol-4-yl)methyl]ethanamine (CID 115815972) is N-[(5-ethylfuran-2-yl)-(1-ethylpyrazol-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[(5-ethylfuran-2-yl)-(1-ethylpyrazol-4-yl)methyl]ethanamine?
The canonical SMILES for N-[(5-ethylfuran-2-yl)-(1-ethylpyrazol-4-yl)methyl]ethanamine is CCNC(c1cnn(CC)c1)c1ccc(CC)o1.
What is the InChIKey of N-[(5-ethylfuran-2-yl)-(1-ethylpyrazol-4-yl)methyl]ethanamine?
The InChIKey is QVZQXLSUBLWGDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-4-12-7-8-13(18-12)14(15-5-2)11-9-16-17(6-3)10-11/h7-10,14-15H,4-6H2,1-3H3.
What are the key properties of N-[(5-ethylfuran-2-yl)-(1-ethylpyrazol-4-yl)methyl]ethanamine?
N-[(5-ethylfuran-2-yl)-(1-ethylpyrazol-4-yl)methyl]ethanamine has a molecular weight of 247.34 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethylfuran-2-yl)-(1-ethylpyrazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 115815972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).