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

C11H14ClN3O — CID 106693494

IUPACN-[(2-chlorofuran-3-yl)-(1-methylpyrazol-3-yl)methyl]ethanamine
SMILESCCNC(c1ccn(C)n1)c1ccoc1Cl
InChIInChI=1S/C11H14ClN3O/c1-3-13-10(8-5-7-16-11(8)12)9-4-6-15(2)14-9/h4-7,10,13H,3H2,1-2H3
InChIKeyMQWXOVYAQZASQI-UHFFFAOYSA-N
MW239.71 g/mol
LogP2.37
Rot. Bonds4

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

N-[(2-chlorofuran-3-yl)-(1-methylpyrazol-3-yl)methyl]ethanamine (PubChem CID 106693494) has the molecular formula C11H14ClN3O and a molecular weight of 239.71 g/mol. Its IUPAC name is N-[(2-chlorofuran-3-yl)-(1-methylpyrazol-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-chlorofuran-3-yl)-(1-methylpyrazol-3-yl)methyl]ethanamine
PubChem CID106693494
Molecular FormulaC11H14ClN3O
Molecular Weight239.71 g/mol
Exact Mass239.08
IUPAC NameN-[(2-chlorofuran-3-yl)-(1-methylpyrazol-3-yl)methyl]ethanamine
SMILESCCNC(c1ccn(C)n1)c1ccoc1Cl
InChIInChI=1S/C11H14ClN3O/c1-3-13-10(8-5-7-16-11(8)12)9-4-6-15(2)14-9/h4-7,10,13H,3H2,1-2H3
InChIKeyMQWXOVYAQZASQI-UHFFFAOYSA-N
XLogP2.37
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.71
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-methylphenyl)-(1-methylpyrazol-3-yl)methyl]ethanamine
CID 65200482
N-[(3-bromofuran-2-yl)-(1-methylpyrazol-3-yl)methyl]ethanamine
CID 65200330
N-[(1-methylpyrazol-3-yl)-[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 65200285
N-[(2-ethylphenyl)-(1-methylpyrazol-3-yl)methyl]ethanamine
CID 103135731
N-[(2-ethoxyphenyl)-(1-methylpyrazol-3-yl)methyl]ethanamine
CID 65200592
N-[(2-chlorofuran-3-yl)-(2-methylpyrazol-3-yl)methyl]ethanamine
CID 106692062
N-[(2-chlorofuran-3-yl)-(1-ethylimidazol-2-yl)methyl]ethanamine
CID 106689411
N-[(1-methylpyrazol-3-yl)-(2-methyl-3-pyridinyl)methyl]ethanamine
CID 103135601
N-[(1-methylpyrazol-3-yl)-pyrazolo[1,5-a]pyridin-3-ylmethyl]ethanamine
CID 103134633
N-[(2-bromo-5-methylphenyl)-(1-methylpyrazol-3-yl)methyl]ethanamine
CID 103135736
N-[(2-fluoro-4-methoxyphenyl)-(1-methylpyrazol-3-yl)methyl]ethanamine
CID 103131244
N-[(1-methylpyrazol-3-yl)-thiophen-2-ylmethyl]ethanamine
CID 65200220

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorofuran-3-yl)-(1-methylpyrazol-3-yl)methyl]ethanamine?
The IUPAC name of N-[(2-chlorofuran-3-yl)-(1-methylpyrazol-3-yl)methyl]ethanamine (CID 106693494) is N-[(2-chlorofuran-3-yl)-(1-methylpyrazol-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2-chlorofuran-3-yl)-(1-methylpyrazol-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(2-chlorofuran-3-yl)-(1-methylpyrazol-3-yl)methyl]ethanamine is CCNC(c1ccn(C)n1)c1ccoc1Cl.
What is the InChIKey of N-[(2-chlorofuran-3-yl)-(1-methylpyrazol-3-yl)methyl]ethanamine?
The InChIKey is MQWXOVYAQZASQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O/c1-3-13-10(8-5-7-16-11(8)12)9-4-6-15(2)14-9/h4-7,10,13H,3H2,1-2H3.
What are the key properties of N-[(2-chlorofuran-3-yl)-(1-methylpyrazol-3-yl)methyl]ethanamine?
N-[(2-chlorofuran-3-yl)-(1-methylpyrazol-3-yl)methyl]ethanamine has a molecular weight of 239.71 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorofuran-3-yl)-(1-methylpyrazol-3-yl)methyl]ethanamine is sourced from PubChem (CID 106693494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).