(2S,3S)-1-tert-butyl-2-[1-(2-methoxyethyl)pyrazol-4-yl]-5-oxopyrrolidine-3-carboxamide

C15H24N4O3 — CID 91654418

IUPAC(2S,3S)-1-tert-butyl-2-[1-(2-methoxyethyl)pyrazol-4-yl]-5-oxopyrrolidine-3-carboxamide
SMILESCOCCn1cc([C@@H]2[C@@H](C(N)=O)CC(=O)N2C(C)(C)C)cn1
InChIInChI=1S/C15H24N4O3/c1-15(2,3)19-12(20)7-11(14(16)21)13(19)10-8-17-18(9-10)5-6-22-4/h8-9,11,13H,5-7H2,1-4H3,(H2,16,21)/t11-,13+/m0/s1
InChIKeyPUNFFCQJFXHZEM-WCQYABFASA-N
MW308.38 g/mol
LogP0.70
Rot. Bonds5

About (2S,3S)-1-tert-butyl-2-[1-(2-methoxyethyl)pyrazol-4-yl]-5-oxopyrrolidine-3-carboxamide

(2S,3S)-1-tert-butyl-2-[1-(2-methoxyethyl)pyrazol-4-yl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 91654418) has the molecular formula C15H24N4O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is (2S,3S)-1-tert-butyl-2-[1-(2-methoxyethyl)pyrazol-4-yl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(2S,3S)-1-tert-butyl-2-[1-(2-methoxyethyl)pyrazol-4-yl]-5-oxopyrrolidine-3-carboxamide
PubChem CID91654418
Molecular FormulaC15H24N4O3
Molecular Weight308.38 g/mol
Exact Mass308.18
IUPAC Name(2S,3S)-1-tert-butyl-2-[1-(2-methoxyethyl)pyrazol-4-yl]-5-oxopyrrolidine-3-carboxamide
SMILESCOCCn1cc([C@@H]2[C@@H](C(N)=O)CC(=O)N2C(C)(C)C)cn1
InChIInChI=1S/C15H24N4O3/c1-15(2,3)19-12(20)7-11(14(16)21)13(19)10-8-17-18(9-10)5-6-22-4/h8-9,11,13H,5-7H2,1-4H3,(H2,16,21)/t11-,13+/m0/s1
InChIKeyPUNFFCQJFXHZEM-WCQYABFASA-N
XLogP0.70
TPSA90.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-1-tert-butyl-2-[1-(2-methoxyethyl)pyrazol-4-yl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (2S,3S)-1-tert-butyl-2-[1-(2-methoxyethyl)pyrazol-4-yl]-5-oxopyrrolidine-3-carboxamide (CID 91654418) is (2S,3S)-1-tert-butyl-2-[1-(2-methoxyethyl)pyrazol-4-yl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (2S,3S)-1-tert-butyl-2-[1-(2-methoxyethyl)pyrazol-4-yl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (2S,3S)-1-tert-butyl-2-[1-(2-methoxyethyl)pyrazol-4-yl]-5-oxopyrrolidine-3-carboxamide is COCCn1cc([C@@H]2[C@@H](C(N)=O)CC(=O)N2C(C)(C)C)cn1.
What is the InChIKey of (2S,3S)-1-tert-butyl-2-[1-(2-methoxyethyl)pyrazol-4-yl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is PUNFFCQJFXHZEM-WCQYABFASA-N. The full InChI is InChI=1S/C15H24N4O3/c1-15(2,3)19-12(20)7-11(14(16)21)13(19)10-8-17-18(9-10)5-6-22-4/h8-9,11,13H,5-7H2,1-4H3,(H2,16,21)/t11-,13+/m0/s1.
What are the key properties of (2S,3S)-1-tert-butyl-2-[1-(2-methoxyethyl)pyrazol-4-yl]-5-oxopyrrolidine-3-carboxamide?
(2S,3S)-1-tert-butyl-2-[1-(2-methoxyethyl)pyrazol-4-yl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 308.38 g/mol, XLogP of 0.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-1-tert-butyl-2-[1-(2-methoxyethyl)pyrazol-4-yl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 91654418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).