(2S,4R)-4-amino-N-ethyl-1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)acetyl]pyrrolidine-2-carboxamide

C16H27N5O2 — CID 56705911

IUPAC(2S,4R)-4-amino-N-ethyl-1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)acetyl]pyrrolidine-2-carboxamide
SMILESCCNC(=O)[C@@H]1C[C@@H](N)CN1C(=O)Cn1nc(C)c(CC)c1C
InChIInChI=1S/C16H27N5O2/c1-5-13-10(3)19-21(11(13)4)9-15(22)20-8-12(17)7-14(20)16(23)18-6-2/h12,14H,5-9,17H2,1-4H3,(H,18,23)/t12-,14+/m1/s1
InChIKeyNEOLZFODEAWRHK-OCCSQVGLSA-N
MW321.43 g/mol
LogP0.13
Rot. Bonds5

About (2S,4R)-4-amino-N-ethyl-1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)acetyl]pyrrolidine-2-carboxamide

(2S,4R)-4-amino-N-ethyl-1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)acetyl]pyrrolidine-2-carboxamide (PubChem CID 56705911) has the molecular formula C16H27N5O2 and a molecular weight of 321.43 g/mol. Its IUPAC name is (2S,4R)-4-amino-N-ethyl-1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)acetyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-4-amino-N-ethyl-1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)acetyl]pyrrolidine-2-carboxamide
PubChem CID56705911
Molecular FormulaC16H27N5O2
Molecular Weight321.43 g/mol
Exact Mass321.22
IUPAC Name(2S,4R)-4-amino-N-ethyl-1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)acetyl]pyrrolidine-2-carboxamide
SMILESCCNC(=O)[C@@H]1C[C@@H](N)CN1C(=O)Cn1nc(C)c(CC)c1C
InChIInChI=1S/C16H27N5O2/c1-5-13-10(3)19-21(11(13)4)9-15(22)20-8-12(17)7-14(20)16(23)18-6-2/h12,14H,5-9,17H2,1-4H3,(H,18,23)/t12-,14+/m1/s1
InChIKeyNEOLZFODEAWRHK-OCCSQVGLSA-N
XLogP0.13
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-amino-N-ethyl-1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)acetyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-4-amino-N-ethyl-1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)acetyl]pyrrolidine-2-carboxamide (CID 56705911) is (2S,4R)-4-amino-N-ethyl-1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)acetyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-4-amino-N-ethyl-1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)acetyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-4-amino-N-ethyl-1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)acetyl]pyrrolidine-2-carboxamide is CCNC(=O)[C@@H]1C[C@@H](N)CN1C(=O)Cn1nc(C)c(CC)c1C.
What is the InChIKey of (2S,4R)-4-amino-N-ethyl-1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)acetyl]pyrrolidine-2-carboxamide?
The InChIKey is NEOLZFODEAWRHK-OCCSQVGLSA-N. The full InChI is InChI=1S/C16H27N5O2/c1-5-13-10(3)19-21(11(13)4)9-15(22)20-8-12(17)7-14(20)16(23)18-6-2/h12,14H,5-9,17H2,1-4H3,(H,18,23)/t12-,14+/m1/s1.
What are the key properties of (2S,4R)-4-amino-N-ethyl-1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)acetyl]pyrrolidine-2-carboxamide?
(2S,4R)-4-amino-N-ethyl-1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)acetyl]pyrrolidine-2-carboxamide has a molecular weight of 321.43 g/mol, XLogP of 0.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-amino-N-ethyl-1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)acetyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 56705911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).