3-[(2R)-oxolan-2-yl]-N-[1-(2-pyrazol-1-ylphenyl)ethyl]propanamide

C18H23N3O2 — CID 166302824

IUPAC3-[(2R)-oxolan-2-yl]-N-[1-(2-pyrazol-1-ylphenyl)ethyl]propanamide
SMILESCC(NC(=O)CC[C@H]1CCCO1)c1ccccc1-n1cccn1
InChIInChI=1S/C18H23N3O2/c1-14(20-18(22)10-9-15-6-4-13-23-15)16-7-2-3-8-17(16)21-12-5-11-19-21/h2-3,5,7-8,11-12,14-15H,4,6,9-10,13H2,1H3,(H,20,22)/t14?,15-/m1/s1
InChIKeyVWPDKYFUJFERQB-YSSOQSIOSA-N
MW313.40 g/mol
LogP3.01
Rot. Bonds6

About 3-[(2R)-oxolan-2-yl]-N-[1-(2-pyrazol-1-ylphenyl)ethyl]propanamide

3-[(2R)-oxolan-2-yl]-N-[1-(2-pyrazol-1-ylphenyl)ethyl]propanamide (PubChem CID 166302824) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 3-[(2R)-oxolan-2-yl]-N-[1-(2-pyrazol-1-ylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-[(2R)-oxolan-2-yl]-N-[1-(2-pyrazol-1-ylphenyl)ethyl]propanamide
PubChem CID166302824
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name3-[(2R)-oxolan-2-yl]-N-[1-(2-pyrazol-1-ylphenyl)ethyl]propanamide
SMILESCC(NC(=O)CC[C@H]1CCCO1)c1ccccc1-n1cccn1
InChIInChI=1S/C18H23N3O2/c1-14(20-18(22)10-9-15-6-4-13-23-15)16-7-2-3-8-17(16)21-12-5-11-19-21/h2-3,5,7-8,11-12,14-15H,4,6,9-10,13H2,1H3,(H,20,22)/t14?,15-/m1/s1
InChIKeyVWPDKYFUJFERQB-YSSOQSIOSA-N
XLogP3.01
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 ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(oxazinan-2-yl)-N-[1-(2-pyrazol-1-ylphenyl)ethyl]propanamide
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N-[(1S)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]-3-[(2R)-oxan-2-yl]propanamide
CID 97212156
N-propan-2-yl-2-[[(1S)-1-(2-pyrazol-1-ylphenyl)ethyl]amino]acetamide
CID 97085171
3-amino-N-[1-(2-pyrazol-1-ylphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119781657
2-methyl-3-oxo-3-[1-(2-pyrazol-1-ylphenyl)ethylamino]propanoic acid
CID 122065751
N-[(S)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-[(2R)-oxolan-2-yl]propanamide
CID 94092667
1-[1-(2-pyrazol-1-ylphenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 120550077
N-[1-(2-pyrazol-1-ylphenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride
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3-methyl-N-[1-(2-pyrazol-1-ylphenyl)ethyl]oxane-3-carboxamide
CID 136521990
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-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[1-(2-pyrazol-1-ylphenyl)ethyl]acetamide
CID 91837818

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-oxolan-2-yl]-N-[1-(2-pyrazol-1-ylphenyl)ethyl]propanamide?
The IUPAC name of 3-[(2R)-oxolan-2-yl]-N-[1-(2-pyrazol-1-ylphenyl)ethyl]propanamide (CID 166302824) is 3-[(2R)-oxolan-2-yl]-N-[1-(2-pyrazol-1-ylphenyl)ethyl]propanamide.
What is the SMILES notation for 3-[(2R)-oxolan-2-yl]-N-[1-(2-pyrazol-1-ylphenyl)ethyl]propanamide?
The canonical SMILES for 3-[(2R)-oxolan-2-yl]-N-[1-(2-pyrazol-1-ylphenyl)ethyl]propanamide is CC(NC(=O)CC[C@H]1CCCO1)c1ccccc1-n1cccn1.
What is the InChIKey of 3-[(2R)-oxolan-2-yl]-N-[1-(2-pyrazol-1-ylphenyl)ethyl]propanamide?
The InChIKey is VWPDKYFUJFERQB-YSSOQSIOSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-14(20-18(22)10-9-15-6-4-13-23-15)16-7-2-3-8-17(16)21-12-5-11-19-21/h2-3,5,7-8,11-12,14-15H,4,6,9-10,13H2,1H3,(H,20,22)/t14?,15-/m1/s1.
What are the key properties of 3-[(2R)-oxolan-2-yl]-N-[1-(2-pyrazol-1-ylphenyl)ethyl]propanamide?
3-[(2R)-oxolan-2-yl]-N-[1-(2-pyrazol-1-ylphenyl)ethyl]propanamide has a molecular weight of 313.40 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-oxolan-2-yl]-N-[1-(2-pyrazol-1-ylphenyl)ethyl]propanamide is sourced from PubChem (CID 166302824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).