1-[(3R)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-2-pyrazol-1-ylethanone

C15H18FN5O2 — CID 129355233

IUPAC1-[(3R)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-2-pyrazol-1-ylethanone
SMILESCCc1ncnc(O[C@@H]2CCN(C(=O)Cn3cccn3)C2)c1F
InChIInChI=1S/C15H18FN5O2/c1-2-12-14(16)15(18-10-17-12)23-11-4-7-20(8-11)13(22)9-21-6-3-5-19-21/h3,5-6,10-11H,2,4,7-9H2,1H3/t11-/m1/s1
InChIKeyGALOKLNGGNOQLY-LLVKDONJSA-N
MW319.34 g/mol
LogP1.05
Rot. Bonds5

About 1-[(3R)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-2-pyrazol-1-ylethanone

1-[(3R)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-2-pyrazol-1-ylethanone (PubChem CID 129355233) has the molecular formula C15H18FN5O2 and a molecular weight of 319.34 g/mol. Its IUPAC name is 1-[(3R)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-2-pyrazol-1-ylethanone.

Molecular Properties

Compound Name1-[(3R)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-2-pyrazol-1-ylethanone
PubChem CID129355233
Molecular FormulaC15H18FN5O2
Molecular Weight319.34 g/mol
Exact Mass319.14
IUPAC Name1-[(3R)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-2-pyrazol-1-ylethanone
SMILESCCc1ncnc(O[C@@H]2CCN(C(=O)Cn3cccn3)C2)c1F
InChIInChI=1S/C15H18FN5O2/c1-2-12-14(16)15(18-10-17-12)23-11-4-7-20(8-11)13(22)9-21-6-3-5-19-21/h3,5-6,10-11H,2,4,7-9H2,1H3/t11-/m1/s1
InChIKeyGALOKLNGGNOQLY-LLVKDONJSA-N
XLogP1.05
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-2-pyrazol-1-ylethanone?
The IUPAC name of 1-[(3R)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-2-pyrazol-1-ylethanone (CID 129355233) is 1-[(3R)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-2-pyrazol-1-ylethanone.
What is the SMILES notation for 1-[(3R)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-2-pyrazol-1-ylethanone?
The canonical SMILES for 1-[(3R)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-2-pyrazol-1-ylethanone is CCc1ncnc(O[C@@H]2CCN(C(=O)Cn3cccn3)C2)c1F.
What is the InChIKey of 1-[(3R)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-2-pyrazol-1-ylethanone?
The InChIKey is GALOKLNGGNOQLY-LLVKDONJSA-N. The full InChI is InChI=1S/C15H18FN5O2/c1-2-12-14(16)15(18-10-17-12)23-11-4-7-20(8-11)13(22)9-21-6-3-5-19-21/h3,5-6,10-11H,2,4,7-9H2,1H3/t11-/m1/s1.
What are the key properties of 1-[(3R)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-2-pyrazol-1-ylethanone?
1-[(3R)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-2-pyrazol-1-ylethanone has a molecular weight of 319.34 g/mol, XLogP of 1.05, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-2-pyrazol-1-ylethanone is sourced from PubChem (CID 129355233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).