3-[(2S)-oxolan-2-yl]-N-[1-[(1S)-1-phenylethyl]pyrazol-3-yl]propanamide

C18H23N3O2 — CID 97225833

IUPAC3-[(2S)-oxolan-2-yl]-N-[1-[(1S)-1-phenylethyl]pyrazol-3-yl]propanamide
SMILESC[C@@H](c1ccccc1)n1ccc(NC(=O)CC[C@@H]2CCCO2)n1
InChIInChI=1S/C18H23N3O2/c1-14(15-6-3-2-4-7-15)21-12-11-17(20-21)19-18(22)10-9-16-8-5-13-23-16/h2-4,6-7,11-12,14,16H,5,8-10,13H2,1H3,(H,19,20,22)/t14-,16-/m0/s1
InChIKeyXHFBBEXYGQHEBV-HOCLYGCPSA-N
MW313.40 g/mol
LogP3.39
Rot. Bonds6

About 3-[(2S)-oxolan-2-yl]-N-[1-[(1S)-1-phenylethyl]pyrazol-3-yl]propanamide

3-[(2S)-oxolan-2-yl]-N-[1-[(1S)-1-phenylethyl]pyrazol-3-yl]propanamide (PubChem CID 97225833) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 3-[(2S)-oxolan-2-yl]-N-[1-[(1S)-1-phenylethyl]pyrazol-3-yl]propanamide.

Molecular Properties

Compound Name3-[(2S)-oxolan-2-yl]-N-[1-[(1S)-1-phenylethyl]pyrazol-3-yl]propanamide
PubChem CID97225833
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name3-[(2S)-oxolan-2-yl]-N-[1-[(1S)-1-phenylethyl]pyrazol-3-yl]propanamide
SMILESC[C@@H](c1ccccc1)n1ccc(NC(=O)CC[C@@H]2CCCO2)n1
InChIInChI=1S/C18H23N3O2/c1-14(15-6-3-2-4-7-15)21-12-11-17(20-21)19-18(22)10-9-16-8-5-13-23-16/h2-4,6-7,11-12,14,16H,5,8-10,13H2,1H3,(H,19,20,22)/t14-,16-/m0/s1
InChIKeyXHFBBEXYGQHEBV-HOCLYGCPSA-N
XLogP3.39
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2S)-oxolan-2-yl]-N-[(3R)-3-phenylbutyl]propanamide
CID 94821729
3-[(2S)-oxolan-2-yl]-N-[phenyl(pyridin-4-yl)methyl]propanamide
CID 166301428
3-[(2S)-oxolan-2-yl]-N-pyridin-2-ylpropanamide
CID 51938440
2-(2-hydroxyphenyl)-N-[1-(1-phenylethyl)pyrazol-3-yl]acetamide
CID 71970163
N-(2-chlorophenyl)-3-[(2R)-oxolan-2-yl]propanamide
CID 39087895
N-[1-oxo-1-[[1-(1-phenylethyl)pyrazol-3-yl]amino]propan-2-yl]cyclobutanecarboxamide
CID 71919085
N-[3-[1-(methylamino)ethyl]phenyl]-3-(oxolan-2-yl)propanamide
CID 65157052
1-[[(1R,2R)-2-hydroxycyclopentyl]methyl]-1-methyl-3-[1-[(1R)-1-phenylethyl]pyrazol-3-yl]urea
CID 98874227
3-[(2R)-oxolan-2-yl]-N-[1-(2-pyrazol-1-ylphenyl)ethyl]propanamide
CID 166302824
N-[2-methyl-3-[3-(oxolan-2-yl)propanoylamino]phenyl]benzamide
CID 87028458
1-chloro-4-(oxolan-2-yl)-1-phenylbutan-2-one
CID 81236403
N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-3-[(2R)-oxolan-2-yl]propanamide
CID 94092022

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-oxolan-2-yl]-N-[1-[(1S)-1-phenylethyl]pyrazol-3-yl]propanamide?
The IUPAC name of 3-[(2S)-oxolan-2-yl]-N-[1-[(1S)-1-phenylethyl]pyrazol-3-yl]propanamide (CID 97225833) is 3-[(2S)-oxolan-2-yl]-N-[1-[(1S)-1-phenylethyl]pyrazol-3-yl]propanamide.
What is the SMILES notation for 3-[(2S)-oxolan-2-yl]-N-[1-[(1S)-1-phenylethyl]pyrazol-3-yl]propanamide?
The canonical SMILES for 3-[(2S)-oxolan-2-yl]-N-[1-[(1S)-1-phenylethyl]pyrazol-3-yl]propanamide is C[C@@H](c1ccccc1)n1ccc(NC(=O)CC[C@@H]2CCCO2)n1.
What is the InChIKey of 3-[(2S)-oxolan-2-yl]-N-[1-[(1S)-1-phenylethyl]pyrazol-3-yl]propanamide?
The InChIKey is XHFBBEXYGQHEBV-HOCLYGCPSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-14(15-6-3-2-4-7-15)21-12-11-17(20-21)19-18(22)10-9-16-8-5-13-23-16/h2-4,6-7,11-12,14,16H,5,8-10,13H2,1H3,(H,19,20,22)/t14-,16-/m0/s1.
What are the key properties of 3-[(2S)-oxolan-2-yl]-N-[1-[(1S)-1-phenylethyl]pyrazol-3-yl]propanamide?
3-[(2S)-oxolan-2-yl]-N-[1-[(1S)-1-phenylethyl]pyrazol-3-yl]propanamide has a molecular weight of 313.40 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-oxolan-2-yl]-N-[1-[(1S)-1-phenylethyl]pyrazol-3-yl]propanamide is sourced from PubChem (CID 97225833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).