(2R)-1-[(2S)-2-(5-methylfuran-2-yl)azepan-1-yl]-2-pyrazol-1-ylpropan-1-one

C17H23N3O2 — CID 95773818

IUPAC(2R)-1-[(2S)-2-(5-methylfuran-2-yl)azepan-1-yl]-2-pyrazol-1-ylpropan-1-one
SMILESCc1ccc([C@@H]2CCCCCN2C(=O)[C@@H](C)n2cccn2)o1
InChIInChI=1S/C17H23N3O2/c1-13-8-9-16(22-13)15-7-4-3-5-11-19(15)17(21)14(2)20-12-6-10-18-20/h6,8-10,12,14-15H,3-5,7,11H2,1-2H3/t14-,15+/m1/s1
InChIKeyOOWXPZXDGZPODL-CABCVRRESA-N
MW301.39 g/mol
LogP3.49
Rot. Bonds3

About (2R)-1-[(2S)-2-(5-methylfuran-2-yl)azepan-1-yl]-2-pyrazol-1-ylpropan-1-one

(2R)-1-[(2S)-2-(5-methylfuran-2-yl)azepan-1-yl]-2-pyrazol-1-ylpropan-1-one (PubChem CID 95773818) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is (2R)-1-[(2S)-2-(5-methylfuran-2-yl)azepan-1-yl]-2-pyrazol-1-ylpropan-1-one.

Molecular Properties

Compound Name(2R)-1-[(2S)-2-(5-methylfuran-2-yl)azepan-1-yl]-2-pyrazol-1-ylpropan-1-one
PubChem CID95773818
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name(2R)-1-[(2S)-2-(5-methylfuran-2-yl)azepan-1-yl]-2-pyrazol-1-ylpropan-1-one
SMILESCc1ccc([C@@H]2CCCCCN2C(=O)[C@@H](C)n2cccn2)o1
InChIInChI=1S/C17H23N3O2/c1-13-8-9-16(22-13)15-7-4-3-5-11-19(15)17(21)14(2)20-12-6-10-18-20/h6,8-10,12,14-15H,3-5,7,11H2,1-2H3/t14-,15+/m1/s1
InChIKeyOOWXPZXDGZPODL-CABCVRRESA-N
XLogP3.49
TPSA51.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2R)-1-[(2S)-2-(5-methylfuran-2-yl)azepan-1-yl]-2-pyrazol-1-ylpropan-1-one with MolForge

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Related Compounds

(2R)-N-[(1R)-1-(3-methoxy-4-pyridinyl)ethyl]-2-(5-methylfuran-2-yl)piperidine-1-carboxamide
CID 124619508
[3-[(2S)-2-(5-methylfuran-2-yl)azepan-1-yl]-3-oxopropyl]urea
CID 99619252
2-pyrazol-1-yl-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propan-1-one
CID 62275068
N-cycloheptyl-2-pyrazol-1-ylpropanamide
CID 47156273
4-[[2-(5-methylfuran-2-yl)pyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 122023503
(2S)-N-[2-(dimethylamino)pyrimidin-5-yl]-2-(5-methylfuran-2-yl)piperidine-1-carboxamide
CID 99581240
[2-(5-methylfuran-2-yl)piperidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone;hydrochloride
CID 120637389
1-[2-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-pyrrol-1-ylpropan-1-one
CID 128993847
2-[(2S)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]-N-(4-methyl-3-pyridinyl)-2-oxoacetamide
CID 97007974
2-[(2R)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]-N-(4-methyl-3-pyridinyl)-2-oxoacetamide
CID 97007973
2-[(2S)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]-2-oxo-N-quinolin-8-ylacetamide
CID 95354467
1-[(2R)-2-(5-methylfuran-2-yl)azepan-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 95981062

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(2S)-2-(5-methylfuran-2-yl)azepan-1-yl]-2-pyrazol-1-ylpropan-1-one?
The IUPAC name of (2R)-1-[(2S)-2-(5-methylfuran-2-yl)azepan-1-yl]-2-pyrazol-1-ylpropan-1-one (CID 95773818) is (2R)-1-[(2S)-2-(5-methylfuran-2-yl)azepan-1-yl]-2-pyrazol-1-ylpropan-1-one.
What is the SMILES notation for (2R)-1-[(2S)-2-(5-methylfuran-2-yl)azepan-1-yl]-2-pyrazol-1-ylpropan-1-one?
The canonical SMILES for (2R)-1-[(2S)-2-(5-methylfuran-2-yl)azepan-1-yl]-2-pyrazol-1-ylpropan-1-one is Cc1ccc([C@@H]2CCCCCN2C(=O)[C@@H](C)n2cccn2)o1.
What is the InChIKey of (2R)-1-[(2S)-2-(5-methylfuran-2-yl)azepan-1-yl]-2-pyrazol-1-ylpropan-1-one?
The InChIKey is OOWXPZXDGZPODL-CABCVRRESA-N. The full InChI is InChI=1S/C17H23N3O2/c1-13-8-9-16(22-13)15-7-4-3-5-11-19(15)17(21)14(2)20-12-6-10-18-20/h6,8-10,12,14-15H,3-5,7,11H2,1-2H3/t14-,15+/m1/s1.
What are the key properties of (2R)-1-[(2S)-2-(5-methylfuran-2-yl)azepan-1-yl]-2-pyrazol-1-ylpropan-1-one?
(2R)-1-[(2S)-2-(5-methylfuran-2-yl)azepan-1-yl]-2-pyrazol-1-ylpropan-1-one has a molecular weight of 301.39 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(2S)-2-(5-methylfuran-2-yl)azepan-1-yl]-2-pyrazol-1-ylpropan-1-one is sourced from PubChem (CID 95773818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).