2-[(2S,4R)-4-methoxy-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-N-(2-propylpyrazol-3-yl)acetamide

C16H25N7O2 — CID 128982281

IUPAC2-[(2S,4R)-4-methoxy-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-N-(2-propylpyrazol-3-yl)acetamide
SMILESCCCn1nccc1NC(=O)CN1C[C@H](OC)C[C@H]1c1nncn1C
InChIInChI=1S/C16H25N7O2/c1-4-7-23-14(5-6-18-23)19-15(24)10-22-9-12(25-3)8-13(22)16-20-17-11-21(16)2/h5-6,11-13H,4,7-10H2,1-3H3,(H,19,24)/t12-,13+/m1/s1
InChIKeyOIIVEFCCEUGVLR-OLZOCXBDSA-N
MW347.42 g/mol
LogP0.82
Rot. Bonds7

About 2-[(2S,4R)-4-methoxy-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-N-(2-propylpyrazol-3-yl)acetamide

2-[(2S,4R)-4-methoxy-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-N-(2-propylpyrazol-3-yl)acetamide (PubChem CID 128982281) has the molecular formula C16H25N7O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is 2-[(2S,4R)-4-methoxy-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-N-(2-propylpyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[(2S,4R)-4-methoxy-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-N-(2-propylpyrazol-3-yl)acetamide
PubChem CID128982281
Molecular FormulaC16H25N7O2
Molecular Weight347.42 g/mol
Exact Mass347.21
IUPAC Name2-[(2S,4R)-4-methoxy-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-N-(2-propylpyrazol-3-yl)acetamide
SMILESCCCn1nccc1NC(=O)CN1C[C@H](OC)C[C@H]1c1nncn1C
InChIInChI=1S/C16H25N7O2/c1-4-7-23-14(5-6-18-23)19-15(24)10-22-9-12(25-3)8-13(22)16-20-17-11-21(16)2/h5-6,11-13H,4,7-10H2,1-3H3,(H,19,24)/t12-,13+/m1/s1
InChIKeyOIIVEFCCEUGVLR-OLZOCXBDSA-N
XLogP0.82
TPSA90.10 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S,4R)-4-methoxy-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-N-(2-propylpyrazol-3-yl)acetamide?
The IUPAC name of 2-[(2S,4R)-4-methoxy-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-N-(2-propylpyrazol-3-yl)acetamide (CID 128982281) is 2-[(2S,4R)-4-methoxy-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-N-(2-propylpyrazol-3-yl)acetamide.
What is the SMILES notation for 2-[(2S,4R)-4-methoxy-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-N-(2-propylpyrazol-3-yl)acetamide?
The canonical SMILES for 2-[(2S,4R)-4-methoxy-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-N-(2-propylpyrazol-3-yl)acetamide is CCCn1nccc1NC(=O)CN1C[C@H](OC)C[C@H]1c1nncn1C.
What is the InChIKey of 2-[(2S,4R)-4-methoxy-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-N-(2-propylpyrazol-3-yl)acetamide?
The InChIKey is OIIVEFCCEUGVLR-OLZOCXBDSA-N. The full InChI is InChI=1S/C16H25N7O2/c1-4-7-23-14(5-6-18-23)19-15(24)10-22-9-12(25-3)8-13(22)16-20-17-11-21(16)2/h5-6,11-13H,4,7-10H2,1-3H3,(H,19,24)/t12-,13+/m1/s1.
What are the key properties of 2-[(2S,4R)-4-methoxy-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-N-(2-propylpyrazol-3-yl)acetamide?
2-[(2S,4R)-4-methoxy-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-N-(2-propylpyrazol-3-yl)acetamide has a molecular weight of 347.42 g/mol, XLogP of 0.82, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,4R)-4-methoxy-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-N-(2-propylpyrazol-3-yl)acetamide is sourced from PubChem (CID 128982281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).