N-[(5-chlorofuran-2-yl)-(1-methylpyrazol-4-yl)methyl]ethanamine

C11H14ClN3O — CID 106691547

IUPACN-[(5-chlorofuran-2-yl)-(1-methylpyrazol-4-yl)methyl]ethanamine
SMILESCCNC(c1cnn(C)c1)c1ccc(Cl)o1
InChIInChI=1S/C11H14ClN3O/c1-3-13-11(8-6-14-15(2)7-8)9-4-5-10(12)16-9/h4-7,11,13H,3H2,1-2H3
InChIKeyGUKHIXKDWLYESA-UHFFFAOYSA-N
MW239.71 g/mol
LogP2.37
Rot. Bonds4

About N-[(5-chlorofuran-2-yl)-(1-methylpyrazol-4-yl)methyl]ethanamine

N-[(5-chlorofuran-2-yl)-(1-methylpyrazol-4-yl)methyl]ethanamine (PubChem CID 106691547) has the molecular formula C11H14ClN3O and a molecular weight of 239.71 g/mol. Its IUPAC name is N-[(5-chlorofuran-2-yl)-(1-methylpyrazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-chlorofuran-2-yl)-(1-methylpyrazol-4-yl)methyl]ethanamine
PubChem CID106691547
Molecular FormulaC11H14ClN3O
Molecular Weight239.71 g/mol
Exact Mass239.08
IUPAC NameN-[(5-chlorofuran-2-yl)-(1-methylpyrazol-4-yl)methyl]ethanamine
SMILESCCNC(c1cnn(C)c1)c1ccc(Cl)o1
InChIInChI=1S/C11H14ClN3O/c1-3-13-11(8-6-14-15(2)7-8)9-4-5-10(12)16-9/h4-7,11,13H,3H2,1-2H3
InChIKeyGUKHIXKDWLYESA-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-[(3,5-dichlorophenyl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 43492483
N-[(5-chlorofuran-2-yl)-(6-methyl-3-pyridinyl)methyl]ethanamine
CID 106692001
N-[(3-bromo-4-chlorophenyl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 113337190
N-[(5-chloro-2-methoxyphenyl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 43492434
N-[(5-chlorofuran-2-yl)-(4-ethylphenyl)methyl]ethanamine
CID 106684213
N-[(3-methylfuran-2-yl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 43492376
N-[(2-bromo-6-chlorophenyl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 114269044
N-[(2-ethylfuran-3-yl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 114104180
N-[(7-chloro-1-benzofuran-2-yl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine
CID 114729059
N-[(1-methylpyrazol-4-yl)-naphthalen-1-ylmethyl]ethanamine
CID 43492495
N-[(5-ethylfuran-2-yl)-(1-ethylpyrazol-4-yl)methyl]ethanamine
CID 115815972
[(5-ethylfuran-2-yl)-(1-methylpyrazol-4-yl)methyl]hydrazine
CID 105288754

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorofuran-2-yl)-(1-methylpyrazol-4-yl)methyl]ethanamine?
The IUPAC name of N-[(5-chlorofuran-2-yl)-(1-methylpyrazol-4-yl)methyl]ethanamine (CID 106691547) is N-[(5-chlorofuran-2-yl)-(1-methylpyrazol-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[(5-chlorofuran-2-yl)-(1-methylpyrazol-4-yl)methyl]ethanamine?
The canonical SMILES for N-[(5-chlorofuran-2-yl)-(1-methylpyrazol-4-yl)methyl]ethanamine is CCNC(c1cnn(C)c1)c1ccc(Cl)o1.
What is the InChIKey of N-[(5-chlorofuran-2-yl)-(1-methylpyrazol-4-yl)methyl]ethanamine?
The InChIKey is GUKHIXKDWLYESA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O/c1-3-13-11(8-6-14-15(2)7-8)9-4-5-10(12)16-9/h4-7,11,13H,3H2,1-2H3.
What are the key properties of N-[(5-chlorofuran-2-yl)-(1-methylpyrazol-4-yl)methyl]ethanamine?
N-[(5-chlorofuran-2-yl)-(1-methylpyrazol-4-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-[(5-chlorofuran-2-yl)-(1-methylpyrazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 106691547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).