N-[(2S,3S)-2-(2-phenylpyrazol-3-yl)oxolan-3-yl]cyclopent-3-ene-1-carboxamide

C19H21N3O2 — CID 164631078

IUPACN-[(2S,3S)-2-(2-phenylpyrazol-3-yl)oxolan-3-yl]cyclopent-3-ene-1-carboxamide
SMILESO=C(N[C@H]1CCO[C@@H]1c1ccnn1-c1ccccc1)C1CC=CC1
InChIInChI=1S/C19H21N3O2/c23-19(14-6-4-5-7-14)21-16-11-13-24-18(16)17-10-12-20-22(17)15-8-2-1-3-9-15/h1-5,8-10,12,14,16,18H,6-7,11,13H2,(H,21,23)/t16-,18-/m0/s1
InChIKeyQAHUPGBBOGXVJO-WMZOPIPTSA-N
MW323.40 g/mol
LogP2.78
Rot. Bonds4

About N-[(2S,3S)-2-(2-phenylpyrazol-3-yl)oxolan-3-yl]cyclopent-3-ene-1-carboxamide

N-[(2S,3S)-2-(2-phenylpyrazol-3-yl)oxolan-3-yl]cyclopent-3-ene-1-carboxamide (PubChem CID 164631078) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is N-[(2S,3S)-2-(2-phenylpyrazol-3-yl)oxolan-3-yl]cyclopent-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-[(2S,3S)-2-(2-phenylpyrazol-3-yl)oxolan-3-yl]cyclopent-3-ene-1-carboxamide
PubChem CID164631078
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC NameN-[(2S,3S)-2-(2-phenylpyrazol-3-yl)oxolan-3-yl]cyclopent-3-ene-1-carboxamide
SMILESO=C(N[C@H]1CCO[C@@H]1c1ccnn1-c1ccccc1)C1CC=CC1
InChIInChI=1S/C19H21N3O2/c23-19(14-6-4-5-7-14)21-16-11-13-24-18(16)17-10-12-20-22(17)15-8-2-1-3-9-15/h1-5,8-10,12,14,16,18H,6-7,11,13H2,(H,21,23)/t16-,18-/m0/s1
InChIKeyQAHUPGBBOGXVJO-WMZOPIPTSA-N
XLogP2.78
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

rac-(2R,3R)-2-(1-phenyl-1H-pyrazol-5-yl)oxolan-3-amine hydrochloride
CID 121553789
rac-(2R,3R)-2-(1-phenyl-1H-pyrazol-5-yl)oxolan-3-amine, trans
CID 121553788
N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]cyclopent-3-ene-1-carboxamide
CID 121558812
(2R,3R)-N-[1-(2,4-difluorophenyl)ethyl]-2-(2-propan-2-ylpyrazol-3-yl)oxane-3-carboxamide
CID 126800314
3-(3,5-dimethylpyrazol-1-yl)-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]butanamide
CID 132303366
(2S,3S)-N-[[2-(methylamino)phenyl]methyl]-2-(2-phenylpyrazol-3-yl)oxolan-3-amine
CID 164634764
N-{[(2R,3S)-2-(4-fluorophenyl)oxolan-3-yl]methyl}-3-(1-methyl-1H-pyrazol-5-yl)propanamide
CID 120425581
N-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methyl]-3-fluoropyridine-4-carboxamide
CID 120425641
N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]-1-[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methanamine
CID 120916561
3-fluoro-N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]-4-pyrazol-1-ylbenzamide
CID 121558811
1-(3,4-difluorophenyl)-N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]-2-oxopyrrolidine-3-carboxamide
CID 121559192
2-[4-[(2S,3S)-2-[2-(4-fluorophenyl)pyrazol-3-yl]oxolane-3-carbonyl]piperazin-1-yl]-N-prop-2-ynylacetamide
CID 121564770

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3S)-2-(2-phenylpyrazol-3-yl)oxolan-3-yl]cyclopent-3-ene-1-carboxamide?
The IUPAC name of N-[(2S,3S)-2-(2-phenylpyrazol-3-yl)oxolan-3-yl]cyclopent-3-ene-1-carboxamide (CID 164631078) is N-[(2S,3S)-2-(2-phenylpyrazol-3-yl)oxolan-3-yl]cyclopent-3-ene-1-carboxamide.
What is the SMILES notation for N-[(2S,3S)-2-(2-phenylpyrazol-3-yl)oxolan-3-yl]cyclopent-3-ene-1-carboxamide?
The canonical SMILES for N-[(2S,3S)-2-(2-phenylpyrazol-3-yl)oxolan-3-yl]cyclopent-3-ene-1-carboxamide is O=C(N[C@H]1CCO[C@@H]1c1ccnn1-c1ccccc1)C1CC=CC1.
What is the InChIKey of N-[(2S,3S)-2-(2-phenylpyrazol-3-yl)oxolan-3-yl]cyclopent-3-ene-1-carboxamide?
The InChIKey is QAHUPGBBOGXVJO-WMZOPIPTSA-N. The full InChI is InChI=1S/C19H21N3O2/c23-19(14-6-4-5-7-14)21-16-11-13-24-18(16)17-10-12-20-22(17)15-8-2-1-3-9-15/h1-5,8-10,12,14,16,18H,6-7,11,13H2,(H,21,23)/t16-,18-/m0/s1.
What are the key properties of N-[(2S,3S)-2-(2-phenylpyrazol-3-yl)oxolan-3-yl]cyclopent-3-ene-1-carboxamide?
N-[(2S,3S)-2-(2-phenylpyrazol-3-yl)oxolan-3-yl]cyclopent-3-ene-1-carboxamide has a molecular weight of 323.40 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3S)-2-(2-phenylpyrazol-3-yl)oxolan-3-yl]cyclopent-3-ene-1-carboxamide is sourced from PubChem (CID 164631078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).