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

C13H14FN5O2 — CID 129491144

IUPAC1-[(3R)-3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]-2-pyrazol-1-ylethanone
SMILESO=C(Cn1cccn1)N1CC[C@@H](Oc2ncc(F)cn2)C1
InChIInChI=1S/C13H14FN5O2/c14-10-6-15-13(16-7-10)21-11-2-5-18(8-11)12(20)9-19-4-1-3-17-19/h1,3-4,6-7,11H,2,5,8-9H2/t11-/m1/s1
InChIKeyPMAPUVJVBGNBDS-LLVKDONJSA-N
MW291.29 g/mol
LogP0.49
Rot. Bonds4

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

1-[(3R)-3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]-2-pyrazol-1-ylethanone (PubChem CID 129491144) has the molecular formula C13H14FN5O2 and a molecular weight of 291.29 g/mol. Its IUPAC name is 1-[(3R)-3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]-2-pyrazol-1-ylethanone.

Molecular Properties

Compound Name1-[(3R)-3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]-2-pyrazol-1-ylethanone
PubChem CID129491144
Molecular FormulaC13H14FN5O2
Molecular Weight291.29 g/mol
Exact Mass291.11
IUPAC Name1-[(3R)-3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]-2-pyrazol-1-ylethanone
SMILESO=C(Cn1cccn1)N1CC[C@@H](Oc2ncc(F)cn2)C1
InChIInChI=1S/C13H14FN5O2/c14-10-6-15-13(16-7-10)21-11-2-5-18(8-11)12(20)9-19-4-1-3-17-19/h1,3-4,6-7,11H,2,5,8-9H2/t11-/m1/s1
InChIKeyPMAPUVJVBGNBDS-LLVKDONJSA-N
XLogP0.49
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.29
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]-2-pyrazol-1-ylethanone?
The IUPAC name of 1-[(3R)-3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]-2-pyrazol-1-ylethanone (CID 129491144) is 1-[(3R)-3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]-2-pyrazol-1-ylethanone.
What is the SMILES notation for 1-[(3R)-3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]-2-pyrazol-1-ylethanone?
The canonical SMILES for 1-[(3R)-3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]-2-pyrazol-1-ylethanone is O=C(Cn1cccn1)N1CC[C@@H](Oc2ncc(F)cn2)C1.
What is the InChIKey of 1-[(3R)-3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]-2-pyrazol-1-ylethanone?
The InChIKey is PMAPUVJVBGNBDS-LLVKDONJSA-N. The full InChI is InChI=1S/C13H14FN5O2/c14-10-6-15-13(16-7-10)21-11-2-5-18(8-11)12(20)9-19-4-1-3-17-19/h1,3-4,6-7,11H,2,5,8-9H2/t11-/m1/s1.
What are the key properties of 1-[(3R)-3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]-2-pyrazol-1-ylethanone?
1-[(3R)-3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]-2-pyrazol-1-ylethanone has a molecular weight of 291.29 g/mol, XLogP of 0.49, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]-2-pyrazol-1-ylethanone is sourced from PubChem (CID 129491144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).