N-[[(2S,4S)-4-fluoro-1-pyrimidin-4-ylpyrrolidin-2-yl]methyl]-N-methyl-2-pyrazol-1-ylacetamide

C15H19FN6O — CID 128990582

IUPACN-[[(2S,4S)-4-fluoro-1-pyrimidin-4-ylpyrrolidin-2-yl]methyl]-N-methyl-2-pyrazol-1-ylacetamide
SMILESCN(C[C@@H]1C[C@H](F)CN1c1ccncn1)C(=O)Cn1cccn1
InChIInChI=1S/C15H19FN6O/c1-20(15(23)10-21-6-2-4-19-21)9-13-7-12(16)8-22(13)14-3-5-17-11-18-14/h2-6,11-13H,7-10H2,1H3/t12-,13-/m0/s1
InChIKeyASVZSZVCIARORH-STQMWFEESA-N
MW318.36 g/mol
LogP0.75
Rot. Bonds5

About N-[[(2S,4S)-4-fluoro-1-pyrimidin-4-ylpyrrolidin-2-yl]methyl]-N-methyl-2-pyrazol-1-ylacetamide

N-[[(2S,4S)-4-fluoro-1-pyrimidin-4-ylpyrrolidin-2-yl]methyl]-N-methyl-2-pyrazol-1-ylacetamide (PubChem CID 128990582) has the molecular formula C15H19FN6O and a molecular weight of 318.36 g/mol. Its IUPAC name is N-[[(2S,4S)-4-fluoro-1-pyrimidin-4-ylpyrrolidin-2-yl]methyl]-N-methyl-2-pyrazol-1-ylacetamide.

Molecular Properties

Compound NameN-[[(2S,4S)-4-fluoro-1-pyrimidin-4-ylpyrrolidin-2-yl]methyl]-N-methyl-2-pyrazol-1-ylacetamide
PubChem CID128990582
Molecular FormulaC15H19FN6O
Molecular Weight318.36 g/mol
Exact Mass318.16
IUPAC NameN-[[(2S,4S)-4-fluoro-1-pyrimidin-4-ylpyrrolidin-2-yl]methyl]-N-methyl-2-pyrazol-1-ylacetamide
SMILESCN(C[C@@H]1C[C@H](F)CN1c1ccncn1)C(=O)Cn1cccn1
InChIInChI=1S/C15H19FN6O/c1-20(15(23)10-21-6-2-4-19-21)9-13-7-12(16)8-22(13)14-3-5-17-11-18-14/h2-6,11-13H,7-10H2,1H3/t12-,13-/m0/s1
InChIKeyASVZSZVCIARORH-STQMWFEESA-N
XLogP0.75
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.36
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[(2S,4S)-4-fluoro-1-pyrimidin-4-ylpyrrolidin-2-yl]methyl]-N-methyl-2-pyrazol-1-ylacetamide?
The IUPAC name of N-[[(2S,4S)-4-fluoro-1-pyrimidin-4-ylpyrrolidin-2-yl]methyl]-N-methyl-2-pyrazol-1-ylacetamide (CID 128990582) is N-[[(2S,4S)-4-fluoro-1-pyrimidin-4-ylpyrrolidin-2-yl]methyl]-N-methyl-2-pyrazol-1-ylacetamide.
What is the SMILES notation for N-[[(2S,4S)-4-fluoro-1-pyrimidin-4-ylpyrrolidin-2-yl]methyl]-N-methyl-2-pyrazol-1-ylacetamide?
The canonical SMILES for N-[[(2S,4S)-4-fluoro-1-pyrimidin-4-ylpyrrolidin-2-yl]methyl]-N-methyl-2-pyrazol-1-ylacetamide is CN(C[C@@H]1C[C@H](F)CN1c1ccncn1)C(=O)Cn1cccn1.
What is the InChIKey of N-[[(2S,4S)-4-fluoro-1-pyrimidin-4-ylpyrrolidin-2-yl]methyl]-N-methyl-2-pyrazol-1-ylacetamide?
The InChIKey is ASVZSZVCIARORH-STQMWFEESA-N. The full InChI is InChI=1S/C15H19FN6O/c1-20(15(23)10-21-6-2-4-19-21)9-13-7-12(16)8-22(13)14-3-5-17-11-18-14/h2-6,11-13H,7-10H2,1H3/t12-,13-/m0/s1.
What are the key properties of N-[[(2S,4S)-4-fluoro-1-pyrimidin-4-ylpyrrolidin-2-yl]methyl]-N-methyl-2-pyrazol-1-ylacetamide?
N-[[(2S,4S)-4-fluoro-1-pyrimidin-4-ylpyrrolidin-2-yl]methyl]-N-methyl-2-pyrazol-1-ylacetamide has a molecular weight of 318.36 g/mol, XLogP of 0.75, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S,4S)-4-fluoro-1-pyrimidin-4-ylpyrrolidin-2-yl]methyl]-N-methyl-2-pyrazol-1-ylacetamide is sourced from PubChem (CID 128990582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).