(2S,3S)-1-ethyl-2-(1-ethylimidazol-2-yl)-5-oxo-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-3-carboxamide

C16H22N6O2 — CID 138012829

IUPAC(2S,3S)-1-ethyl-2-(1-ethylimidazol-2-yl)-5-oxo-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-3-carboxamide
SMILESCCN1C(=O)C[C@H](C(=O)NCc2ccn[nH]2)[C@H]1c1nccn1CC
InChIInChI=1S/C16H22N6O2/c1-3-21-8-7-17-15(21)14-12(9-13(23)22(14)4-2)16(24)18-10-11-5-6-19-20-11/h5-8,12,14H,3-4,9-10H2,1-2H3,(H,18,24)(H,19,20)/t12-,14-/m0/s1
InChIKeyLIMIXSGEUWDHIO-JSGCOSHPSA-N
MW330.39 g/mol
LogP0.85
Rot. Bonds6

About (2S,3S)-1-ethyl-2-(1-ethylimidazol-2-yl)-5-oxo-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-3-carboxamide

(2S,3S)-1-ethyl-2-(1-ethylimidazol-2-yl)-5-oxo-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-3-carboxamide (PubChem CID 138012829) has the molecular formula C16H22N6O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is (2S,3S)-1-ethyl-2-(1-ethylimidazol-2-yl)-5-oxo-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(2S,3S)-1-ethyl-2-(1-ethylimidazol-2-yl)-5-oxo-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-3-carboxamide
PubChem CID138012829
Molecular FormulaC16H22N6O2
Molecular Weight330.39 g/mol
Exact Mass330.18
IUPAC Name(2S,3S)-1-ethyl-2-(1-ethylimidazol-2-yl)-5-oxo-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-3-carboxamide
SMILESCCN1C(=O)C[C@H](C(=O)NCc2ccn[nH]2)[C@H]1c1nccn1CC
InChIInChI=1S/C16H22N6O2/c1-3-21-8-7-17-15(21)14-12(9-13(23)22(14)4-2)16(24)18-10-11-5-6-19-20-11/h5-8,12,14H,3-4,9-10H2,1-2H3,(H,18,24)(H,19,20)/t12-,14-/m0/s1
InChIKeyLIMIXSGEUWDHIO-JSGCOSHPSA-N
XLogP0.85
TPSA95.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,3S)-1-ethyl-2-(1-ethylimidazol-2-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 138012870
(2S,3S)-1-ethyl-2-(1-ethylimidazol-2-yl)-N-(2-methoxyethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 138012860
1-methyl-5-oxo-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-3-carboxamide
CID 61218006
1-ethyl-2-(1-methylimidazol-2-yl)-5-oxopyrrolidine-3-carboxylic acid
CID 122359916
2-(1H-pyrazol-5-ylmethylcarbamoyl)cyclopropane-1-carboxylic acid
CID 61283327
4-methyl-2-(1H-pyrazol-5-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid
CID 114390788
(2S,3S)-1-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-5-oxo-N-[(1-pyridin-2-ylcyclopropyl)methyl]pyrrolidine-3-carboxamide
CID 138012998
5-oxo-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-3-carboxamide
CID 78983105
4-amino-N-(1H-pyrazol-5-ylmethyl)oxolane-3-carboxamide
CID 66236271
N-(1H-pyrazol-5-ylmethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 61284123
(2R,3R)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-ethyl-2-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 110087437
6-oxo-N-(1H-pyrazol-5-ylmethyl)piperidine-3-carboxamide
CID 112731393

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-1-ethyl-2-(1-ethylimidazol-2-yl)-5-oxo-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-3-carboxamide?
The IUPAC name of (2S,3S)-1-ethyl-2-(1-ethylimidazol-2-yl)-5-oxo-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-3-carboxamide (CID 138012829) is (2S,3S)-1-ethyl-2-(1-ethylimidazol-2-yl)-5-oxo-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (2S,3S)-1-ethyl-2-(1-ethylimidazol-2-yl)-5-oxo-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (2S,3S)-1-ethyl-2-(1-ethylimidazol-2-yl)-5-oxo-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-3-carboxamide is CCN1C(=O)C[C@H](C(=O)NCc2ccn[nH]2)[C@H]1c1nccn1CC.
What is the InChIKey of (2S,3S)-1-ethyl-2-(1-ethylimidazol-2-yl)-5-oxo-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-3-carboxamide?
The InChIKey is LIMIXSGEUWDHIO-JSGCOSHPSA-N. The full InChI is InChI=1S/C16H22N6O2/c1-3-21-8-7-17-15(21)14-12(9-13(23)22(14)4-2)16(24)18-10-11-5-6-19-20-11/h5-8,12,14H,3-4,9-10H2,1-2H3,(H,18,24)(H,19,20)/t12-,14-/m0/s1.
What are the key properties of (2S,3S)-1-ethyl-2-(1-ethylimidazol-2-yl)-5-oxo-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-3-carboxamide?
(2S,3S)-1-ethyl-2-(1-ethylimidazol-2-yl)-5-oxo-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-3-carboxamide has a molecular weight of 330.39 g/mol, XLogP of 0.85, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-1-ethyl-2-(1-ethylimidazol-2-yl)-5-oxo-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 138012829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).