(1R)-N-[(1-benzylpyrazol-4-yl)methyl]-1-(furan-2-yl)ethanamine

C17H19N3O — CID 81391965

IUPAC(1R)-N-[(1-benzylpyrazol-4-yl)methyl]-1-(furan-2-yl)ethanamine
SMILESC[C@@H](NCc1cnn(Cc2ccccc2)c1)c1ccco1
InChIInChI=1S/C17H19N3O/c1-14(17-8-5-9-21-17)18-10-16-11-19-20(13-16)12-15-6-3-2-4-7-15/h2-9,11,13-14,18H,10,12H2,1H3/t14-/m1/s1
InChIKeyJNQGKQPJGMKOIS-CQSZACIVSA-N
MW281.36 g/mol
LogP3.38
Rot. Bonds6

About (1R)-N-[(1-benzylpyrazol-4-yl)methyl]-1-(furan-2-yl)ethanamine

(1R)-N-[(1-benzylpyrazol-4-yl)methyl]-1-(furan-2-yl)ethanamine (PubChem CID 81391965) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is (1R)-N-[(1-benzylpyrazol-4-yl)methyl]-1-(furan-2-yl)ethanamine.

Molecular Properties

Compound Name(1R)-N-[(1-benzylpyrazol-4-yl)methyl]-1-(furan-2-yl)ethanamine
PubChem CID81391965
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name(1R)-N-[(1-benzylpyrazol-4-yl)methyl]-1-(furan-2-yl)ethanamine
SMILESC[C@@H](NCc1cnn(Cc2ccccc2)c1)c1ccco1
InChIInChI=1S/C17H19N3O/c1-14(17-8-5-9-21-17)18-10-16-11-19-20(13-16)12-15-6-3-2-4-7-15/h2-9,11,13-14,18H,10,12H2,1H3/t14-/m1/s1
InChIKeyJNQGKQPJGMKOIS-CQSZACIVSA-N
XLogP3.38
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1R)-N-[(1-benzylpyrazol-4-yl)methyl]-1-(furan-2-yl)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

(1R)-N-[(1-ethylpyrazol-4-yl)methyl]-1-(furan-2-yl)ethanamine
CID 81400661
1-[(1-benzylpyrazol-4-yl)methyl]-3-[(1S)-1-(furan-2-yl)ethyl]urea
CID 94166163
(1R)-1-(furan-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
CID 81402958
(1R)-N-[(1-benzylpyrazol-4-yl)methyl]-1-naphthalen-1-ylethanamine
CID 31560301
N-[(1-benzylpyrazol-4-yl)methyl]-1-methoxy-3-methylbutan-2-amine
CID 65047705
ethyl 2-[(1-benzylpyrazol-4-yl)methylamino]propanoate
CID 61498436
(1-benzylpyrazol-4-yl)methylhydrazine
CID 130820345
1-[(1-benzylpyrazol-4-yl)methyl]-3-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methylguanidine
CID 111008289
1-(1-benzylpyrazol-4-yl)-N-[(1-propan-2-ylcyclopropyl)methyl]methanamine
CID 103743443
2-[(1-benzylpyrazol-4-yl)methyl]-1,1-dimethylhydrazine
CID 83005209
N-[(1-benzylpyrazol-4-yl)methyl]aniline
CID 43503098
N-[[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]methyl]propan-2-amine
CID 55110405

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(1-benzylpyrazol-4-yl)methyl]-1-(furan-2-yl)ethanamine?
The IUPAC name of (1R)-N-[(1-benzylpyrazol-4-yl)methyl]-1-(furan-2-yl)ethanamine (CID 81391965) is (1R)-N-[(1-benzylpyrazol-4-yl)methyl]-1-(furan-2-yl)ethanamine.
What is the SMILES notation for (1R)-N-[(1-benzylpyrazol-4-yl)methyl]-1-(furan-2-yl)ethanamine?
The canonical SMILES for (1R)-N-[(1-benzylpyrazol-4-yl)methyl]-1-(furan-2-yl)ethanamine is C[C@@H](NCc1cnn(Cc2ccccc2)c1)c1ccco1.
What is the InChIKey of (1R)-N-[(1-benzylpyrazol-4-yl)methyl]-1-(furan-2-yl)ethanamine?
The InChIKey is JNQGKQPJGMKOIS-CQSZACIVSA-N. The full InChI is InChI=1S/C17H19N3O/c1-14(17-8-5-9-21-17)18-10-16-11-19-20(13-16)12-15-6-3-2-4-7-15/h2-9,11,13-14,18H,10,12H2,1H3/t14-/m1/s1.
What are the key properties of (1R)-N-[(1-benzylpyrazol-4-yl)methyl]-1-(furan-2-yl)ethanamine?
(1R)-N-[(1-benzylpyrazol-4-yl)methyl]-1-(furan-2-yl)ethanamine has a molecular weight of 281.36 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(1-benzylpyrazol-4-yl)methyl]-1-(furan-2-yl)ethanamine is sourced from PubChem (CID 81391965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).