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

C11H14ClN3O — CID 106692062

IUPACN-[(2-chlorofuran-3-yl)-(2-methylpyrazol-3-yl)methyl]ethanamine
SMILESCCNC(c1ccoc1Cl)c1ccnn1C
InChIInChI=1S/C11H14ClN3O/c1-3-13-10(8-5-7-16-11(8)12)9-4-6-14-15(9)2/h4-7,10,13H,3H2,1-2H3
InChIKeySKYIPPWZMKPXEG-UHFFFAOYSA-N
MW239.71 g/mol
LogP2.37
Rot. Bonds4

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

N-[(2-chlorofuran-3-yl)-(2-methylpyrazol-3-yl)methyl]ethanamine (PubChem CID 106692062) has the molecular formula C11H14ClN3O and a molecular weight of 239.71 g/mol. Its IUPAC name is N-[(2-chlorofuran-3-yl)-(2-methylpyrazol-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-chlorofuran-3-yl)-(2-methylpyrazol-3-yl)methyl]ethanamine
PubChem CID106692062
Molecular FormulaC11H14ClN3O
Molecular Weight239.71 g/mol
Exact Mass239.08
IUPAC NameN-[(2-chlorofuran-3-yl)-(2-methylpyrazol-3-yl)methyl]ethanamine
SMILESCCNC(c1ccoc1Cl)c1ccnn1C
InChIInChI=1S/C11H14ClN3O/c1-3-13-10(8-5-7-16-11(8)12)9-4-6-14-15(9)2/h4-7,10,13H,3H2,1-2H3
InChIKeySKYIPPWZMKPXEG-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

Analyze N-[(2-chlorofuran-3-yl)-(2-methylpyrazol-3-yl)methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-chloro-4-methylphenyl)-(2-methylpyrazol-3-yl)methyl]ethanamine
CID 106857640
N-[(2,4-difluoro-5-methylphenyl)-(2-methylpyrazol-3-yl)methyl]ethanamine
CID 115858665
N-[(2-bromofuran-3-yl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine
CID 106857638
N-[(2-chlorofuran-3-yl)-(1-methylpyrazol-3-yl)methyl]ethanamine
CID 106693494
N-[(2-chlorofuran-3-yl)-(1-ethylimidazol-2-yl)methyl]ethanamine
CID 106689411
N-[[2-(difluoromethoxy)phenyl]-(2-methylpyrazol-3-yl)methyl]ethanamine
CID 115858860
N-[(5-fluoro-2-methylphenyl)-(2-methylpyrazol-3-yl)methyl]ethanamine
CID 63960984
N-[(2-cyclobutylphenyl)-(2-methylpyrazol-3-yl)methyl]ethanamine
CID 105188811
N-[(5-chloro-1-benzofuran-2-yl)-(2-methylpyrazol-3-yl)methyl]ethanamine
CID 105185621
N-[(3,5-dimethylphenyl)-(2-methylpyrazol-3-yl)methyl]ethanamine
CID 115858831
N-ethyl-2-methyl-1-(2-methylpyrazol-3-yl)propan-1-amine
CID 63962680
N-[(3-bromo-4-chlorophenyl)-(2-methylpyrazol-3-yl)methyl]ethanamine
CID 113337176

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorofuran-3-yl)-(2-methylpyrazol-3-yl)methyl]ethanamine?
The IUPAC name of N-[(2-chlorofuran-3-yl)-(2-methylpyrazol-3-yl)methyl]ethanamine (CID 106692062) is N-[(2-chlorofuran-3-yl)-(2-methylpyrazol-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2-chlorofuran-3-yl)-(2-methylpyrazol-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(2-chlorofuran-3-yl)-(2-methylpyrazol-3-yl)methyl]ethanamine is CCNC(c1ccoc1Cl)c1ccnn1C.
What is the InChIKey of N-[(2-chlorofuran-3-yl)-(2-methylpyrazol-3-yl)methyl]ethanamine?
The InChIKey is SKYIPPWZMKPXEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O/c1-3-13-10(8-5-7-16-11(8)12)9-4-6-14-15(9)2/h4-7,10,13H,3H2,1-2H3.
What are the key properties of N-[(2-chlorofuran-3-yl)-(2-methylpyrazol-3-yl)methyl]ethanamine?
N-[(2-chlorofuran-3-yl)-(2-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)-(2-methylpyrazol-3-yl)methyl]ethanamine is sourced from PubChem (CID 106692062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).