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

C16H17N3O — CID 51675922

IUPAC(1R)-1-(furan-2-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]ethanamine
SMILESC[C@@H](NCc1ccc(-n2cccn2)cc1)c1ccco1
InChIInChI=1S/C16H17N3O/c1-13(16-4-2-11-20-16)17-12-14-5-7-15(8-6-14)19-10-3-9-18-19/h2-11,13,17H,12H2,1H3/t13-/m1/s1
InChIKeyPHYBBIAPSUJKPW-CYBMUJFWSA-N
MW267.33 g/mol
LogP3.32
Rot. Bonds5

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

(1R)-1-(furan-2-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]ethanamine (PubChem CID 51675922) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is (1R)-1-(furan-2-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-(furan-2-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]ethanamine
PubChem CID51675922
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name(1R)-1-(furan-2-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]ethanamine
SMILESC[C@@H](NCc1ccc(-n2cccn2)cc1)c1ccco1
InChIInChI=1S/C16H17N3O/c1-13(16-4-2-11-20-16)17-12-14-5-7-15(8-6-14)19-10-3-9-18-19/h2-11,13,17H,12H2,1H3/t13-/m1/s1
InChIKeyPHYBBIAPSUJKPW-CYBMUJFWSA-N
XLogP3.32
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-(5-methylfuran-2-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]ethanamine
CID 51675926
1-(furan-2-yl)-2-[(4-pyrazol-1-ylphenyl)methylamino]ethanol
CID 86984352
N-[(4-fluorophenyl)methyl]-1-(furan-2-yl)ethanamine
CID 43178684
1-(furan-2-yl)-N-[(4-trimethylsilylphenyl)methyl]ethanamine
CID 103437580
(1R)-1-(furan-2-yl)-N-[(4-morpholin-4-ylphenyl)methyl]ethanamine
CID 81391853
(1R)-1-(furan-2-yl)-N-[(4-piperidin-1-ylphenyl)methyl]ethanamine
CID 81392851
1-(5-methylthiophen-2-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]ethanamine
CID 61472968
1-methoxy-3-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]butan-2-amine
CID 65047843
N-propan-2-yl-2-[(4-pyrazol-1-ylphenyl)methylamino]acetamide
CID 43232183
(1S)-N-[(4-cyclopropylphenyl)methyl]-1-(furan-2-yl)ethanamine
CID 81403532
2-[(4-pyrazol-1-ylphenyl)methylamino]propane-1,3-diol
CID 65310420
(1R)-1-(furan-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
CID 81402958

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(furan-2-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]ethanamine?
The IUPAC name of (1R)-1-(furan-2-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]ethanamine (CID 51675922) is (1R)-1-(furan-2-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]ethanamine.
What is the SMILES notation for (1R)-1-(furan-2-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]ethanamine?
The canonical SMILES for (1R)-1-(furan-2-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]ethanamine is C[C@@H](NCc1ccc(-n2cccn2)cc1)c1ccco1.
What is the InChIKey of (1R)-1-(furan-2-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]ethanamine?
The InChIKey is PHYBBIAPSUJKPW-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H17N3O/c1-13(16-4-2-11-20-16)17-12-14-5-7-15(8-6-14)19-10-3-9-18-19/h2-11,13,17H,12H2,1H3/t13-/m1/s1.
What are the key properties of (1R)-1-(furan-2-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]ethanamine?
(1R)-1-(furan-2-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]ethanamine has a molecular weight of 267.33 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(furan-2-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]ethanamine is sourced from PubChem (CID 51675922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).