[(2R,3R)-2-methyl-3-morpholin-4-ylpyrrolidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone

C16H26N4O2 — CID 126816311

IUPAC[(2R,3R)-2-methyl-3-morpholin-4-ylpyrrolidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
SMILESCc1nn(C)c(C)c1C(=O)N1CC[C@@H](N2CCOCC2)[C@H]1C
InChIInChI=1S/C16H26N4O2/c1-11-15(13(3)18(4)17-11)16(21)20-6-5-14(12(20)2)19-7-9-22-10-8-19/h12,14H,5-10H2,1-4H3/t12-,14-/m1/s1
InChIKeyUYJRJHJGLBNPIC-TZMCWYRMSA-N
MW306.41 g/mol
LogP0.97
Rot. Bonds2

About [(2R,3R)-2-methyl-3-morpholin-4-ylpyrrolidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone

[(2R,3R)-2-methyl-3-morpholin-4-ylpyrrolidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone (PubChem CID 126816311) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is [(2R,3R)-2-methyl-3-morpholin-4-ylpyrrolidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[(2R,3R)-2-methyl-3-morpholin-4-ylpyrrolidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
PubChem CID126816311
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name[(2R,3R)-2-methyl-3-morpholin-4-ylpyrrolidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
SMILESCc1nn(C)c(C)c1C(=O)N1CC[C@@H](N2CCOCC2)[C@H]1C
InChIInChI=1S/C16H26N4O2/c1-11-15(13(3)18(4)17-11)16(21)20-6-5-14(12(20)2)19-7-9-22-10-8-19/h12,14H,5-10H2,1-4H3/t12-,14-/m1/s1
InChIKeyUYJRJHJGLBNPIC-TZMCWYRMSA-N
XLogP0.97
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(2R,3R)-2-methyl-3-morpholin-4-ylpyrrolidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(2R,3R)-2-methyl-3-morpholin-4-ylpyrrolidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone?
The IUPAC name of [(2R,3R)-2-methyl-3-morpholin-4-ylpyrrolidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone (CID 126816311) is [(2R,3R)-2-methyl-3-morpholin-4-ylpyrrolidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone.
What is the SMILES notation for [(2R,3R)-2-methyl-3-morpholin-4-ylpyrrolidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone?
The canonical SMILES for [(2R,3R)-2-methyl-3-morpholin-4-ylpyrrolidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone is Cc1nn(C)c(C)c1C(=O)N1CC[C@@H](N2CCOCC2)[C@H]1C.
What is the InChIKey of [(2R,3R)-2-methyl-3-morpholin-4-ylpyrrolidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone?
The InChIKey is UYJRJHJGLBNPIC-TZMCWYRMSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-11-15(13(3)18(4)17-11)16(21)20-6-5-14(12(20)2)19-7-9-22-10-8-19/h12,14H,5-10H2,1-4H3/t12-,14-/m1/s1.
What are the key properties of [(2R,3R)-2-methyl-3-morpholin-4-ylpyrrolidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone?
[(2R,3R)-2-methyl-3-morpholin-4-ylpyrrolidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone has a molecular weight of 306.41 g/mol, XLogP of 0.97, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R)-2-methyl-3-morpholin-4-ylpyrrolidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone is sourced from PubChem (CID 126816311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).