(2R)-1-(furan-2-yl)-N-[(1-phenylpyrazol-4-yl)methyl]propan-2-amine

C17H19N3O — CID 51683296

IUPAC(2R)-1-(furan-2-yl)-N-[(1-phenylpyrazol-4-yl)methyl]propan-2-amine
SMILESC[C@H](Cc1ccco1)NCc1cnn(-c2ccccc2)c1
InChIInChI=1S/C17H19N3O/c1-14(10-17-8-5-9-21-17)18-11-15-12-19-20(13-15)16-6-3-2-4-7-16/h2-9,12-14,18H,10-11H2,1H3/t14-/m1/s1
InChIKeyGVDRURLMXSTTCI-CQSZACIVSA-N
MW281.36 g/mol
LogP3.19
Rot. Bonds6

About (2R)-1-(furan-2-yl)-N-[(1-phenylpyrazol-4-yl)methyl]propan-2-amine

(2R)-1-(furan-2-yl)-N-[(1-phenylpyrazol-4-yl)methyl]propan-2-amine (PubChem CID 51683296) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is (2R)-1-(furan-2-yl)-N-[(1-phenylpyrazol-4-yl)methyl]propan-2-amine.

Molecular Properties

Compound Name(2R)-1-(furan-2-yl)-N-[(1-phenylpyrazol-4-yl)methyl]propan-2-amine
PubChem CID51683296
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name(2R)-1-(furan-2-yl)-N-[(1-phenylpyrazol-4-yl)methyl]propan-2-amine
SMILESC[C@H](Cc1ccco1)NCc1cnn(-c2ccccc2)c1
InChIInChI=1S/C17H19N3O/c1-14(10-17-8-5-9-21-17)18-11-15-12-19-20(13-15)16-6-3-2-4-7-16/h2-9,12-14,18H,10-11H2,1H3/t14-/m1/s1
InChIKeyGVDRURLMXSTTCI-CQSZACIVSA-N
XLogP3.19
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 ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[(1-phenylpyrazol-4-yl)methyl]-1-pyrazol-1-ylpropan-2-amine
CID 51683973
N-[(1-phenylpyrazol-4-yl)methyl]hexan-2-amine
CID 62196925
4-methylsulfanyl-N-[(1-phenylpyrazol-4-yl)methyl]butan-2-amine
CID 115640103
1-(furan-2-yl)-N-[(1-methylpyrrol-3-yl)methyl]propan-2-amine
CID 66398533
N-[(1-ethylpyrrol-3-yl)methyl]-1-(furan-2-yl)propan-2-amine
CID 66416684
1-[2-(furan-2-yl)ethyl]-2-methyl-3-[(1-phenylpyrazol-4-yl)methyl]guanidine;hydroiodide
CID 111353921
(2S)-3-methyl-2-[(1-phenylpyrazol-4-yl)methylamino]butanoic acid
CID 120510466
4-[[1-(furan-2-yl)propan-2-ylamino]methyl]phenol
CID 43432836
(1S)-1-cyclopentyl-N-[(1-phenylpyrazol-4-yl)methyl]ethanamine
CID 81385943
N-[(5-bromo-3-pyridinyl)methyl]-1-(furan-2-yl)propan-2-amine
CID 113454136
1-ethyl-3-(furan-2-ylmethyl)-2-[(1-phenylpyrazol-4-yl)methyl]guanidine
CID 110938804
N-[(3,5-dichlorophenyl)methyl]-1-(furan-2-yl)propan-2-amine
CID 54920089

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(furan-2-yl)-N-[(1-phenylpyrazol-4-yl)methyl]propan-2-amine?
The IUPAC name of (2R)-1-(furan-2-yl)-N-[(1-phenylpyrazol-4-yl)methyl]propan-2-amine (CID 51683296) is (2R)-1-(furan-2-yl)-N-[(1-phenylpyrazol-4-yl)methyl]propan-2-amine.
What is the SMILES notation for (2R)-1-(furan-2-yl)-N-[(1-phenylpyrazol-4-yl)methyl]propan-2-amine?
The canonical SMILES for (2R)-1-(furan-2-yl)-N-[(1-phenylpyrazol-4-yl)methyl]propan-2-amine is C[C@H](Cc1ccco1)NCc1cnn(-c2ccccc2)c1.
What is the InChIKey of (2R)-1-(furan-2-yl)-N-[(1-phenylpyrazol-4-yl)methyl]propan-2-amine?
The InChIKey is GVDRURLMXSTTCI-CQSZACIVSA-N. The full InChI is InChI=1S/C17H19N3O/c1-14(10-17-8-5-9-21-17)18-11-15-12-19-20(13-15)16-6-3-2-4-7-16/h2-9,12-14,18H,10-11H2,1H3/t14-/m1/s1.
What are the key properties of (2R)-1-(furan-2-yl)-N-[(1-phenylpyrazol-4-yl)methyl]propan-2-amine?
(2R)-1-(furan-2-yl)-N-[(1-phenylpyrazol-4-yl)methyl]propan-2-amine has a molecular weight of 281.36 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(furan-2-yl)-N-[(1-phenylpyrazol-4-yl)methyl]propan-2-amine is sourced from PubChem (CID 51683296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).